CFam Chemical Families Database
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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

CFam Family Information

CFAM Family ID CFFBM9654
Family Name Dipeptidyl peptidase 4 and Cytochrome P450 3A4 inhibitor 6-[(3S)-3-aminopiperidin-1-yl]-3-(isoquinolin-1-ylmethyl)-5-(3-methylbut-2-enyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile family
No. of Seeds 10 No. of Other Members 0
Family Centroid CFAMM00397065 Functional Category Bioactive
Superfamily Dipeptidyl peptidase 4 Inhibitor Linagliptin Superfamily
Class Class 1027

Cousin Family NamesSeedsMembers
Vasopressin V1a receptor and Vasopressin V2 receptor Ligand be... 4 301
Gamma-aminobutyric acid A receptor Ligand imidazopyridine deri... 5 644
Mast/stem cell growth factor receptor Kit and Abelson tyrosine... 6 537
Reverse transcriptase Inhibitor Delavirdine Family 1 68
Reverse transcriptase Inhibitor Nevirapine Family 23 640
5-hydroxytryptamine receptor Ligand Ramosetron Family 10 219
Peptide deformylase, mitochondrial inhibitor folic acid analog... 59 98
Prothrombin Inhibitor Dabigatran Family 7 182
Purine nucleoside phosphorylase Inhibitor BCX-34 Family 2 31
Calcitonin gene-related peptide type 1 receptor Ligand Telcage... 25 124
Dipeptidyl peptidase 4 Inhibitor Linagliptin Family 10 81
Mast/stem cell growth factor receptor Kit and Vascular endothe... 4 47
Translocator protein Inhibitor Emapunil Family 7 89
Protein kinase C alpha type and Protein kinase C beta type Inh... 16 86
Histone deacetylase Inhibitor JNJ-26481585 Family 2 5
Histone deacetylase 6 Inhibitor ACY-1215 Family 10 230
PHA848125 family 13 138
JAK Inhibitor Momelotinib Family 33 83
XL-888 family 16 85
Platelet activating factor, putative Inhibitor ABT-491 Family 22 62
Class II cytokine receptor Ligand IL-10 Family 7 45
Serine/threonine-protein kinase B-raf Inhibitor 2-(benzylamino... 7 117
Epidermal growth factor receptor Ligand PD-158780 Family 98 89
D(2) dopamine receptor and D(3) dopamine receptor Ligand Azape... 7 102
Adenosine receptor A3 Ligand 1-benzyl-1h-1,3,4b,9-tetraaza-flu... 19 165
5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine recept... 19 103
Melanocortin receptor Ligand Ac-his-dnal(2)-arg-trp-nh2 Family 112 67
Adenosine receptor A1 and Adenosine receptor A3 Ligand VUF-850... 28 47
C-C chemokine receptor type 5 Ligand GT-1282 Family 21 14
Nitric oxide synthase, inducible and Nitric oxide synthase, br... 4 6
Cyclin-dependent kinase 2 and Cyclin-dependent kinase 9 Inhibi... 2 3
RAF proto-oncogene serine/threonine-protein kinase Inhibitor L... 219 124
Adenosine receptor A1 and Adenosine receptor A2a Ligand OSIP-3... 4 31
Calcitonin gene-related peptide type 1 receptor Ligand Isomer ... 30 31
Hydroxycarboxylic acid receptor 2 Ligand 2-(6-phenylhexyl)pyri... 4 11
Bifunctional epoxide hydrolase 2 Inhibitor 6-amino-n-(2,4-dich... 10 116
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subun... 24 79
Proto-oncogene tyrosine-protein kinase Src Inhibitor 5,7-diphe... 2 11
Glutamate receptor 1 Ligand Piriqualone Family 8 67
Tubulin beta chain Inhibitor 2-m-tolyl-1h-[1,8]naphthyridin-4-... 5 2
RAC-gamma serine/threonine-protein kinase Inhibitor BMS-754807... 20 90
Serine/threonine-protein kinase B-raf Inhibitor Pyrazolo[1,5-a... 7 77
Protein farnesyltransferase/geranylgeranyltransferase type-1 s... 1 2
Reverse transcriptase/RNaseH inhibitor AC1LAJTF family 6 5
5-hydroxytryptamine receptor 1F and 5-hydroxytryptamine recept... 8 12
Prothrombin inhibitor SureCN5854779 family 4 9
Prothrombin inhibitor SureCN5856722 family 3 16
5-hydroxytryptamine receptor 1F and 5-hydroxytryptamine recept... 2 13
Tyrosine-protein kinase Lck and Tyrosine-protein kinase HCK in... 1 8
Orexin receptor type 2 and Orexin receptor type 1 ligand [(7R)... 10 10
Mu-type opioid receptor and Mu-type opioid receptor ligand Sur... 5 10
Glycogen synthase kinase-3 beta inhibitor AGN-PC-07ZA4D family 1 0
Serine/threonine-protein kinase mTOR and Phosphatidylinositol ... 2 12
Dipeptidyl peptidase 4 inhibitor Xanthine Analogue 4 family 1 4
Dipeptidyl peptidase 4 inhibitor Xanthine mimetic compound 8 f... 2 2
Macrophage colony-stimulating factor 1 receptor and Cytochrome... 13 3
Platelet-activating factor receptor ligand 8-bromo-2-[4-(2-met... 2 2
Platelet-activating factor receptor ligand 5-methyl-2-[4-(2-me... 1 2
Substance-P receptor ligand (3R,4S)-N-[[3,5-bis(trifluoromethy... 3 7
Transient receptor potential cation channel subfamily V member... 1 4
Serine/threonine-protein kinase D1 inhibitor SureCN1424142 family 13 8
Dipeptidyl peptidase 9 and Dipeptidyl peptidase 8 inhibitor Su... 16 5
Serine/threonine-protein kinase D1 and Polycystin-2 inhibitor ... 3 7
Serine/threonine-protein kinase pim-2 and Serine/threonine-pro... 6 9
Histamine H3 receptor ligand 1-[1-[1-[(2-aminopyridin-4-yl)met... 16 9
Vasopressin V1b receptor ligand 2-[3-(3-chlorophenyl)-1-oxo-7-... 2 12
Cathepsin K and Potassium voltage-gated channel subfamily H me... 4 7
TGF-beta receptor type-1 ligand 6-[4-ethyl-2-(6-methylpyridin-... 9 11
Carbonic anhydrase 9 and Carbonic anhydrase 2 inhibitor AGN-PC... 2 4
RAC-alpha serine/threonine-protein kinase and Proline-rich AKT... 2 4
Adenosine receptor A2a ligand AGN-PC-01LVXW family 2 25
Adenosine receptor A2a ligand SureCN14156209 family 3 2
Cyclin-A2 and Cyclin-dependent kinase 2 inhibitor AGN-PC-09M4U... 4 5
Cyclin-A2 and Cyclin-dependent kinase 2 inhibitor AGN-PC-09M45... 8 1
Coagulation factor X inhibitor AGN-PC-075AY8 family 28 21
Cell division cycle 7-related protein kinase and Cyclin-depend... 2 9
Cell division cycle 7-related protein kinase inhibitor pyrrolo... 4 10
Adenosine receptor A3 ligand N-(5-methyl-2-phenylpyrazolo[4,3-... 5 8
Peroxisome proliferator-activated receptor gamma ligand 1-[(4-... 7 29
Prelamin-A/C and Niemann-Pick C1 protein inhibitor CHEMBL13592... 1 16
Reverse transcriptase/RNaseH inhibitor Dipyridodiazepinone der... 1 8
5-hydroxytryptamine receptor 3A and 5-hydroxytryptamine recept... 4 2
Inositol monophosphatase 1 and 15-hydroxyprostaglandin dehydro... 1 0
Cellular tumor antigen p53 inhibitor CHEMBL1551403 family 1 0
Prelamin-A/C and Cellular tumor antigen p53 inhibitor CHEMBL16... 1 7
Gamma-aminobutyric acid receptor subunit gamma-2 and Gamma-ami... 2 0
Gamma-aminobutyric acid receptor subunit gamma-2 and Gamma-ami... 1 1
Protein farnesyltransferase/geranylgeranyltransferase type-1 s... 9 3
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subun... 3 1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subun... 2 2
Cannabinoid receptor 2 and Cannabinoid receptor 1 ligand AGN-P... 2 18
Cannabinoid receptor 2 ligand AGN-PC-0A9SMV family 1 1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subun... 2 1
Tyrosine-protein kinase ITK/TSK and Receptor-type tyrosine-pro... 1 0
MAP kinase-activated protein kinase 2 inhibitor AGN-PC-0A9QGC ... 14 0
Glycogen synthase kinase-3 alpha and Glycogen synthase kinase-... 15 7
Corticotropin-releasing factor receptor 1 ligand Pyridopyrazin... 3 5
MAP kinase-activated protein kinase 2 inhibitor CHEMBL1801305 ... 2 0
Mitogen-activated protein kinase 9 and MAP kinase-activated pr... 1 0
Dipeptidyl peptidase 4 and Potassium voltage-gated channel sub... 4 8
Sodium-dependent serotonin transporter and 5-hydroxytryptamine... 10 14
Renin inhibitor [2-[(3-fluoro-2-methylphenyl)methyl]-6-methyl-... 2 1
Coagulation factor X and Prothrombin inhibitor 2-carboxyindole... 2 8
Coagulation factor X inhibitor AGN-PC-0749BY family 5 9
Tyrosine-protein kinase JAK2 and Tyrosine-protein kinase JAK3 ... 14 2
Histamine H3 receptor and Potassium voltage-gated channel subf... 7 1
Tyrosine-protein kinase JAK2 and Tyrosine-protein kinase JAK3 ... 2 1
Histamine H3 receptor ligand SureCN2878688 family 8 1
Protein-tyrosine kinase 6 and KH domain-containing, RNA-bindin... 21 6
Coagulation factor X and Coagulation factor IX inhibitor pyraz... 11 0
Coagulation factor X and Coagulation factor IX inhibitor pyraz... 6 1
Rho-associated protein kinase 2 and Rho-associated protein kin... 4 9
5-hydroxytryptamine receptor 3A and 5-hydroxytryptamine recept... 18 5
Histamine H1 receptor and Histamine H4 receptor ligand [4-[2-[... 1 1
Transient receptor potential cation channel subfamily V member... 2 1
Heat shock protein HSP 90-beta inhibitor N-[(9R)-4-(3H-imidazo... 1 0
C-X-C chemokine receptor type 3 ligand 5-[(3S)-4-[1-(2-amino-6... 13 0
C-X-C chemokine receptor type 3 ligand 5-[(3S)-4-[1-(4-chlorob... 6 0
Tyrosine-protein kinase JAK1 inhibitor CHEMBL2206623 family 10 11
MAP kinase-activated protein kinase 2 inhibitor 4-fluoro-N-[4-... 25 1
Ribosomal protein S6 kinase alpha-3 inhibitor N-(3-ethylimidaz... 2 2
3-phosphoinositide-dependent protein kinase 1 and RAC-alpha se... 10 4
Neuronal acetylcholine receptor subunit alpha-4 and Neuronal a... 5 4
Dipeptidyl peptidase 4 and Potassium voltage-gated channel sub... 9 0
Dipeptidyl peptidase 4 inhibitor 6-[(3S)-3-aminopiperidin-1-yl... 1 0
Aurora kinase B and Cyclin-dependent kinase 1 inhibitor 7-cycl... 3 16
5-hydroxytryptamine receptor 2A and 5-hydroxytryptamine recept... 3 1
5-hydroxytryptamine receptor 2A and 5-hydroxytryptamine recept... 5 3
Mast/stem cell growth factor receptor Kit and Mitogen-activate... 4 2
Insulin-like growth factor 1 receptor and Mitogen-activated pr... 3 4
Aurora kinase B and Aurora kinase A inhibitor 4-amino-N-[3-[[(... 5 3
Heat shock protein HSP 90-beta inhibitor 1-(2-amino-4-methylqu... 1 2
Aurora kinase B and Aurora kinase A inhibitor (2S)-1-[4-[[1-[(... 12 4
Vascular endothelial growth factor receptor 2 ligand (3Z)-3-[5... 4 11
Vascular endothelial growth factor receptor 2 ligand (3Z)-6-fl... 4 3
Platelet-derived growth factor receptor beta and Vascular endo... 5 12
Dipeptidyl peptidase 4 inhibitor 2-[[2-[(3R)-3-aminopiperidin-... 1 0
Mitogen-activated protein kinase 10 and Mitogen-activated prot... 8 5
Aurora kinase A and Aurora kinase B inhibitor [4-[[7-cyclopent... 6 0
Substance-P receptor ligand 2-[3,5-bis(trifluoromethyl)phenyl]... 3 1
Egl nine homolog 2 and Egl nine homolog 1 inhibitor 8-[(3-meth... 3 1
Protein kinase C theta type inhibitor (2-aminopyridin-3-yl)-[6... 4 1
Glycogen synthase kinase-3 beta inhibitor 2-(4-fluorophenyl)-N... 4 2
Substance-P receptor ligand Netupitant family 5 2
Lysine--tRNA ligase inhibitor N-[2-(2-piperazin-1-ylpyridin-4-... 5 0
Aurora kinase A and Aurora kinase B inhibitor 4-fluoro-N-[4-[(... 6 1
Cyclin-dependent kinase 4 and G1/S-specific cyclin-D1 inhibito... 2 0
Smoothened homolog inhibitor 3-pyridin-3-yl-N-[1-[[6-[4-[(3-py... 1 0
Eukaryotic translation initiation factor 2-alpha kinase 3 inhi... 11 2
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10... 3 1
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10... 5 6
Cathepsin K and Cathepsin S inhibitor 2-Cyano-pyrimidine, 17d ... 5 9
Serine/threonine-protein kinase TBK1 inhibitor N-[3-[[5-cyclop... 5 0
P2X purinoceptor 7 inhibitor SureCN109432 family 10 28
RAC-beta serine/threonine-protein kinase and 3-phosphoinositid... 11 4
cGMP-dependent 3',5'-cyclic phosphodiesterase and cAMP and cAM... 3 0
Dipeptidyl peptidase 4 and Dipeptidyl peptidase 2 inhibitor 6-... 1 0
C-C chemokine receptor type 2 and Potassium voltage-gated chan... 2 2
Melanocortin receptor 4 ligand AGN-PC-076AMO family 17 8
Acetyl-CoA carboxylase 2 and Acetyl-CoA carboxylase 1 inhibito... 6 0
CGMP-dependent protein kinase inhibitor SureCN14561191 family 4 0
TGF-beta receptor type-1 and Mitogen-activated protein kinase ... 1 0
Dipeptidyl peptidase 4 inhibitor 2-[(3R)-3-aminopiperidin-1-yl... 3 4
Tyrosine-protein kinase SYK inhibitor N-tert-butyl-2-(6-fluoro... 5 1
Tyrosine-protein kinase JAK3 and Tyrosine-protein kinase JAK2 ... 3 0
Serine/threonine-protein kinase mTOR inhibitor 1-ethyl-3-[4-[6... 4 1
Adenosine receptor A3 and Adenosine receptor A1 ligand 2-pheny... 9 2
Orexin receptor type 2 and Orexin receptor type 1 ligand 9-(4,... 2 8
Orexin receptor type 2 and Orexin receptor type 1 ligand SureC... 2 0
Eukaryotic translation initiation factor 2-alpha kinase 3 and ... 4 0
cAMP-specific 3',5'-cyclic phosphodiesterase 4B inhibitor 4-[4... 1 1
Histone deacetylase 1 inhibitor 1-methyl-N-[(1S)-7-oxo-1-(5-qu... 2 3
Phospholipase D1 and Phospholipase D2 inhibitor SureCN10311349... 2 14
Tyrosine-protein kinase Lck and Proto-oncogene tyrosine-protei... 3 0
Dipeptidyl peptidase 4 inhibitor 2-(3-aminopiperidin-1-yl)-3-b... 4 1
Mitogen-activated protein kinase 14 inhibitor 3-[(6-amino-1-ph... 9 2
Epidermal growth factor receptor and Receptor tyrosine-protein... 3 1
Alpha-1A adrenergic receptor and Alpha-1B adrenergic receptor ... 3 0
Dihydrofolate reductase and Bifunctional dihydrofolate reducta... 3 2
Alpha-1A adrenergic receptor and Alpha-1D adrenergic receptor ... 2 0
Cell division cycle 7-related protein kinase inhibitor Pyrrolo... 2 6
Epidermal growth factor receptor ligand (E)-5-[4-(3-bromoanili... 11 0
Cyclin-dependent kinase 2 and Potassium voltage-gated channel ... 12 7
Tyrosine-protein kinase ITK/TSK inhibitor AGN-PC-077RDJ family 15 1
Tyrosine-protein kinase SYK and Tyrosine-protein kinase ZAP-70... 3 0
Cyclin-dependent kinase 2 inhibitor SureCN3549598 family 3 1
Tyrosine-protein kinase ITK/TSK and Insulin receptor ligand AG... 5 1
Mast/stem cell growth factor receptor Kit and Tyrosine-protein... 4 1
Melanin-concentrating hormone receptor 1 ligand SureCN3834858 ... 2 1
Egl nine homolog 1 inhibitor 2-[(1,6-diphenylimidazo[4,5-c]pyr... 1 5
Mitogen-activated protein kinase 1 and Aurora kinase A inhibit... 16 3
LIM domain kinase 2 inhibitor 3-[[(cyanoamino)-[(2S)-2-methyl-... 6 0
Poly [ADP-ribose] polymerase 1 and Poly [ADP-ribose] polymeras... 4 0
Cannabinoid receptor 2 and Cannabinoid receptor 1 ligand SureC... 9 0
Protein farnesyltransferase/geranylgeranyltransferase type-1 s... 1 2


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00397066 CHEMBL1951431 Bioactive 6-[(3S)-3-aminopiperidin-1-yl]-5-(3-methylbut-2-enyl)-4-oxo-3-(quinolin-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CFAMM00397072 CHEMBL1951604 Bioactive 6-[(3S)-3-aminopiperidin-1-yl]-5-but-2-ynyl-3-(isoquinolin-1-ylmethyl)-1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CFAMM00397065 CHEMBL1951432 Bioactive 6-[(3S)-3-aminopiperidin-1-yl]-3-(isoquinolin-1-ylmethyl)-5-(3-methylbut-2-enyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CFAMM00397071 CHEMBL1951601 Bioactive 6-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-(3-methylbut-2-enyl)-2,4-dioxo-3-(quinoxalin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CFAMM00397064 CHEMBL1951433 Bioactive 6-[(3S)-3-aminopiperidin-1-yl]-5-(3-methylbut-2-enyl)-3-[(4-methylquinazolin-2-yl)methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CFAMM00397070 CHEMBL1951428 Bioactive 6-[(3S)-3-aminopiperidin-1-yl]-5-but-2-ynyl-3-(isoquinolin-1-ylmethyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CFAMM00397063 CHEMBL1951434 Bioactive 6-[(3S)-3-aminopiperidin-1-yl]-5-(3-methylbut-2-enyl)-4-oxo-3-(quinazolin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CFAMM00397069 CHEMBL1951427 Bioactive 6-[(3S)-3-aminopiperidin-1-yl]-5-but-2-ynyl-4-oxo-3-(quinolin-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CFAMM00397068 CHEMBL1951599 Bioactive 6-[(3S)-3-aminopiperidin-1-yl]-3-(isoquinolin-1-ylmethyl)-1-methyl-5-(3-methylbut-2-enyl)-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CFAMM00397067 CHEMBL1951596 Bioactive 6-[(3S)-3-aminopiperidin-1-yl]-5-benzyl-3-(isoquinolin-1-ylmethyl)-1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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