CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
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 CFFBM9652
Family Name Dipeptidyl peptidase 4 and Potassium voltage-gated channel subfamily H member 2 ligand 5-but-2-ynyl-6-(1,4-diazepan-1-yl)-3-(isoquinolin-1-ylmethyl)-1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile family
No. of Seeds 9 No. of Other Members 0
Family Centroid CFAMM00397046 Functional Category Bioactive
Superfamily Dipeptidyl peptidase 4 Inhibitor Linagliptin Superfamily
Class Class 1027

Cousin Family NamesSeedsMembers
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
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
JAK Inhibitor Momelotinib Family 33 83
XL-888 family 16 85
Adenosine receptor A1 and Adenosine receptor A2a Ligand 8-phen... 12 213
Platelet activating factor, putative Inhibitor ABT-491 Family 22 62
Class II cytokine receptor Ligand IL-10 Family 7 45
D(2) dopamine receptor and D(3) dopamine receptor Ligand Azape... 7 102
Cyclin-dependent kinase 4 Inhibitor 1-(9-oxo-9h-fluoren-4-yl)-... 3 5
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
Melanocortin receptor 3 and Melanocortin receptor 4 Ligand Ac-... 38 60
Adenosine receptor A2b Ligand CVT-7124 Family 14 64
C-C chemokine receptor type 5 Ligand GT-1282 Family 21 14
Nitric oxide synthase, inducible and Nitric oxide synthase, br... 4 6
RAF proto-oncogene serine/threonine-protein kinase Inhibitor L... 219 124
Adenosine receptor A1 and Adenosine receptor A2a Ligand OSIP-3... 4 31
Hydroxycarboxylic acid receptor 2 Ligand 2-(6-phenylhexyl)pyri... 4 11
Proto-oncogene tyrosine-protein kinase Src Inhibitor 5,7-diphe... 2 11
Glutamate receptor 1 Ligand Piriqualone Family 8 67
Vasopressin V2 receptor Ligand YM-35278 Family 33 38
Metabotropic glutamate receptor 5 Ligand 3-cyano-5-fluoro-n-(p... 2 9
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 SureCN5856722 family 3 16
5-hydroxytryptamine receptor 1F and 5-hydroxytryptamine recept... 2 13
Orexin receptor type 2 and Orexin receptor type 1 ligand [(7R)... 10 10
Orexin receptor type 2 and Orexin receptor type 1 ligand SureC... 2 3
Mu-type opioid receptor and Mu-type opioid receptor ligand Sur... 5 10
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 ligand SureCN1... 28 9
Macrophage colony-stimulating factor 1 receptor and Cytochrome... 13 3
Platelet-activating factor receptor ligand 5-methyl-2-[4-(2-me... 1 2
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
RAC-alpha serine/threonine-protein kinase and Proline-rich AKT... 2 4
Adenosine receptor A2a ligand SureCN14156209 family 3 2
Cyclin-A2 and Cyclin-dependent kinase 2 inhibitor AGN-PC-09M45... 8 1
Cell division cycle 7-related protein kinase inhibitor pyrrolo... 4 10
Adenosine receptor A3 ligand N-(5-methyl-2-phenylpyrazolo[4,3-... 5 8
Gonadotropin-releasing hormone receptor ligand AGN-PC-075KV1 f... 4 1
Reverse transcriptase/RNaseH inhibitor Dipyridodiazepinone der... 1 8
Inositol monophosphatase 1 and 15-hydroxyprostaglandin dehydro... 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
Protein farnesyltransferase/geranylgeranyltransferase type-1 s... 9 3
Tyrosine-protein kinase JAK2 inhibitor AGN-PC-09QM1E family 8 15
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
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
Coagulation factor X and Prothrombin inhibitor 2-carboxyindole... 2 8
Tyrosine-protein kinase JAK2 and Tyrosine-protein kinase JAK3 ... 14 2
Histamine H3 receptor ligand SureCN2878688 family 8 1
5-hydroxytryptamine receptor 3A and 5-hydroxytryptamine recept... 18 5
Histamine H1 receptor and Histamine H4 receptor ligand [4-[2-[... 1 1
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 Cytochrome P450 3A4 inhibitor 6-[(3... 10 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... 5 3
Mast/stem cell growth factor receptor Kit and Mitogen-activate... 4 2
Vascular endothelial growth factor receptor 2 ligand (3Z)-3-[5... 4 11
Dipeptidyl peptidase 4 inhibitor 2-[[2-[(3R)-3-aminopiperidin-... 1 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
Somatostatin receptor type 3 ligand tert-butyl 4-[(3R)-3-(5-ph... 2 2
Aurora kinase A and Aurora kinase B inhibitor 4-fluoro-N-[4-[(... 6 1
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10... 3 1
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10... 5 6
Dipeptidyl peptidase 4 and Dipeptidyl peptidase 2 inhibitor 6-... 1 0
C-C chemokine receptor type 2 and Potassium voltage-gated chan... 2 2
Acetyl-CoA carboxylase 2 and Acetyl-CoA carboxylase 1 inhibito... 6 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
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
Dipeptidyl peptidase 4 inhibitor 2-(3-aminopiperidin-1-yl)-3-b... 4 1
Alpha-1A adrenergic receptor and Alpha-1B adrenergic receptor ... 3 0
Vasopressin V2 receptor and Vasopressin V1a receptor ligand AG... 5 0
Vasopressin V2 receptor and Vasopressin V1a receptor ligand Su... 2 1
Integrin beta-3 and Integrin alpha-V inhibitor 2-[(2S)-4-methy... 2 0
Alpha-1A adrenergic receptor and Alpha-1D adrenergic receptor ... 2 0
Cyclin-dependent kinase 2 and Potassium voltage-gated channel ... 12 7
Tyrosine-protein kinase ITK/TSK inhibitor AGN-PC-077RDJ family 15 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
Protein farnesyltransferase/geranylgeranyltransferase type-1 s... 1 2


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00397043 CHEMBL1951439 Bioactive 5-but-2-ynyl-6-(1,4-diazepan-1-yl)-3-[(4-methylquinazolin-2-yl)methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CFAMM00397049 CHEMBL1951609 Bioactive 6-(1,4-diazepan-1-yl)-1-methyl-5-(3-methylbut-2-enyl)-3-[(4-methylquinazolin-2-yl)methyl]-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CFAMM00397042 CHEMBL1951437 Bioactive 6-(1,4-diazepan-1-yl)-3-(isoquinolin-1-ylmethyl)-5-(3-methylbut-2-enyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CFAMM00397048 CHEMBL1951608 Bioactive 6-(1,4-diazepan-1-yl)-3-(isoquinolin-1-ylmethyl)-1-methyl-5-(3-methylbut-2-enyl)-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CFAMM00397041 CHEMBL1951416 Bioactive 3-[[5-but-2-ynyl-7-cyano-6-(1,4-diazepan-1-yl)-1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-3-yl]methyl]isoquinoline-4-carbonitrile
CFAMM00397047 CHEMBL1951611 Bioactive 3-[[7-cyano-6-(1,4-diazepan-1-yl)-1-methyl-5-(3-methylbut-2-enyl)-2,4-dioxopyrrolo[3,2-d]pyrimidin-3-yl]methyl]isoquinoline-4-carbonitrile
CFAMM00397046 CHEMBL1951612 Bioactive 5-but-2-ynyl-6-(1,4-diazepan-1-yl)-3-(isoquinolin-1-ylmethyl)-1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CFAMM00397045 CHEMBL1951614 Bioactive 4-[[5-but-2-ynyl-7-cyano-6-(1,4-diazepan-1-yl)-1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-3-yl]methyl]quinoline-3-carbonitrile
CFAMM00397044 CHEMBL1951438 Bioactive 5-but-2-ynyl-6-(1,4-diazepan-1-yl)-3-(isoquinolin-1-ylmethyl)-4-oxopyrrolo[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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