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 CFFBM17781
Family Name 5-hydroxytryptamine receptor 1A and Sodium-dependent serotonin transporter ligand 4-(4-fluorophenyl)-2-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione family
No. of Seeds 3 No. of Other Members 4
Family Centroid CFAMM00243577 Functional Category Bioactive with Natural Product
Superfamily Gonadotropin-releasing hormone receptor and Thioredoxin glutathione reductase Binder Superfamily
Class Class 173

Cousin Family NamesSeedsMembers
Receptor-type tyrosine-protein kinase FLT3 inhibitor indoline ... 4 151
5-hydroxytryptamine receptor 1B and 5-hydroxytryptamine recept... 14 2769
HIV protease Inhibitor Saquinavir Family 64 428
D(1A) dopamine receptor ligand ergot alkaloid Methylergonovine... 22 170
D(2) dopamine receptor ligand ergot alkaloid Cabergoline Family 5 74
Gastrin/cholecystokinin type B receptor ligand peptide Pentaga... 26 1171
5-hydroxytryptamine receptor 3A Ligand Granisetron Family 26 212
Somatostatin receptor type 2 ligand octapeptide Octreotide Family 27 172
Sodium channel protein type 5 subunit alpha Ligand Disopyramid... 4 352
D(2) dopamine receptor Ligand Sertindole Family 3 173
Indoleamine 2,3-dioxygenase 1 Inhibitor L-tryptophan Family 8 328
Prothrombin Inhibitor Ximelegatran Family 8 157
Transient receptor potential cation channel subfamily V member... 15 158
Hepatocyte growth factor receptor Ligand Arq 197 Family 10 400
Glycogen synthase kinase-3 beta and Protein kinase C beta type... 5 53
Glycogen phosphorylase, muscle form Inhibitor PSN357 Family 3 253
Neuromedin-K receptor Ligand SB222200 Family 17 235
Cholecystokinin receptor type A Ligand Tarazepide Family 6 323
Substance-P receptor Ligand GSK424887 Family 8 184
Poly [ADP-ribose] polymerase 1 Inhibitor AG-14699 Family 13 179
Mitogen-activated protein kinase 14 Inhibitor Losmapimod Family 5 154
Glutamate receptor AMPA subtype Ligand CX-516 Family 9 24
Gamma-aminobutyric acid receptor Ligand E-2007 Family 7 118
Growth hormone receptor Ligand EP-51216 Family 34 390
D(1B) dopamine receptor Ligand LE-300 Family 65 452
Histone deacetylase 1 Inhibitor Panobinostat Family 5 93
D(3) dopamine receptor Ligand SB-277011 Family 13 178
Protein kinase C alpha type and Protein kinase C beta type Inh... 16 86
Substance-P receptor Ligand TAK-637 Family 18 63
TGF-beta receptor type-1 Ligand LY2157299 Family 13 56
Gastrin/cholecystokinin type B receptor Ligand PD136450 Family 53 117
C-C chemokine receptor type 3 Ligand YM-344031 Family 19 106
5-hydroxytryptamine receptor 2A Ligand RP-68303 Family 7 44
Lethal factor Inhibitor GM6001 Family 50 435
XL-888 family 16 85
cGMP-dependent 3',5'-cyclic phosphodiesterase Inhibitor CP-461... 4 34
Gamma-aminobutyric acid receptor subunit alpha-1 Ligand 1-(9h-... 4 25
Cannabinoid receptor 2 Ligand JWH-167 Family 25 168
Somatostatin receptor type 2 Ligand L-054852 Family 13 88
5-hydroxytryptamine receptor 2B Ligand Sb 206553 Family 14 21
Carbonic anhydrase 2 Inhibitor N-[2-(1h-indol-5-yl)-butyl]-4-s... 12 70
D(2) dopamine receptor and D(3) dopamine receptor Ligand 4-(4-... 6 48
Substance-K receptor and Substance-P receptor Ligand L-732138 ... 8 147
cGMP-inhibited 3',5'-cyclic phosphodiesterase A and Cytochrome... 9 40
Histone deacetylase 1 and Histone deacetylase 2 Inhibitor N-(4... 4 21
Alpha-1A adrenergic receptor Ligand L-771688 Family 8 14
Acetylcholinesterase and Cholinesterase Inhibitor Lipocrine Fa... 18 36
Poly [ADP-ribose] polymerase 1 Inhibitor 1,7,8,9-tetrahydro-1,... 19 64
Melanocortin receptor 3 and Melanocortin receptor 4 Ligand C[n... 12 10
Melanocortin receptor Ligand Ac-his-dnal(2)-arg-trp-nh2 Family 112 67
Cholecystokinin receptor type A Ligand VL-0395 Family 12 117
Inosine-5'-monophosphate dehydrogenase 2 Inhibitor 1-methyl-1h... 24 50
Adenosine receptor A1 and Adenosine receptor A3 Ligand VUF-850... 28 47
Melanocortin receptor 3 and Melanocortin receptor 4 Ligand Ac-... 38 60
Transient receptor potential cation channel subfamily V member... 6 23
Cannabinoid receptor 1 and Cannabinoid receptor 2 Ligand JWH-3... 37 1
Cannabinoid receptor 1 and Cannabinoid receptor 2 Ligand JWH-2... 8 1
D(4) dopamine receptor Ligand ABT-670 Family 4 14
Microsomal triglyceride transfer protein large subunit Inhibit... 5 9
Cannabinoid receptor 1 Ligand N-phenyl-5,6-dip-tolylpyrazine-2... 11 26
Cholinesterase Inhibitor 9-[9-(beta-carboline-9-yl)nonyl]-beta... 7 7
Melanocortin receptor 3 and Melanocortin receptor 4 Ligand C[c... 20 18
Poly [ADP-ribose] polymerase 1 Inhibitor 3-ethenylquinoline-8-... 8 4
5-hydroxytryptamine receptor 2A and 5-hydroxytryptamine recept... 4 33
Cytochrome P450 11B1, mitochondrial and Aromatase Inhibitor 5-... 4 10
Bifunctional epoxide hydrolase 2 Inhibitor N-(3,3-diphenyl-pro... 6 14
Kappa-type opioid receptor and Mu-type opioid receptor Ligand ... 19 108
Mitogen-activated protein kinase 14 Inhibitor N-(4-fluorobenzy... 19 32
Steroid 17-alpha-hydroxylase/17,20 lyase and Cytochrome P450 1... 2 4
Sodium-dependent serotonin transporter Inhibitor 3-(3-aminocyc... 94 23
cAMP-specific 3',5'-cyclic phosphodiesterase 4A and cAMP-speci... 3 29
Glutamate receptor 1 Ligand Piriqualone Family 8 67
3-oxo-5-alpha-steroid 4-dehydrogenase 1 and 3-oxo-5-alpha-ster... 3 27
Endothelin B receptor Ligand IRL-2500 Family 34 87
Vasopressin V1a receptor and Vasopressin V1b receptor Ligand D... 10 19
Gamma-aminobutyric acid receptor subunit alpha-1 and Gamma-ami... 12 72
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 18 72
Vasopressin V2 receptor Ligand YM-35278 Family 33 38
Acetylcholinesterase and Cholinesterase Inhibitor 7-oxo-7h-dib... 2 3
Acetylcholinesterase and Cholinesterase Inhibitor 3-(2-diethyl... 12 160
Melanocortin receptor Ligand Ac-his-dphe(3,4-dicl)-arg-trp-nh2... 10 14
Histone deacetylase Inhibitor ST-5732 Family 8 6
Bombesin receptor subtype-3 and Gastrin-releasing peptide rece... 42 7
Acetylcholinesterase and Cholinesterase Inhibitor Huprine-tacr... 62 27
Substance-K receptor ligand 1-N,2-N-bis[2-(1H-indol-3-yl)ethyl... 1 0
Dipeptidyl peptidase 4 inhibitor (1S,3S,5S)-2-[(2S)-2-amino-2-... 3 5
5-hydroxytryptamine receptor 1F and 5-hydroxytryptamine recept... 8 12
C-C chemokine receptor type 5 ligand AC1LAJEM family 4 14
Glycogen synthase kinase-3 beta inhibitor AGN-PC-07ZA4D family 1 0
Gonadotropin-releasing hormone receptor ligand 1-(3-azabicyclo... 6 2
Gonadotropin-releasing hormone receptor ligand 1-(3-azabicyclo... 5 0
Gonadotropin-releasing hormone receptor ligand 5-[2-[[(2S)-2-[... 7 58
Cholecystokinin receptor type A and Gastrin/cholecystokinin ty... 17 28
Gastrin/cholecystokinin type B receptor and Cholecystokinin re... 14 8
Vascular endothelial growth factor receptor 2 and Receptor-typ... 7 4
5-hydroxytryptamine receptor 2A and 5-hydroxytryptamine recept... 1 13
Substance-P receptor ligand N-[(1S,2R)-2-[[(1R)-1-[methyl-(2-p... 2 0
Serine/threonine-protein kinase D1 inhibitor SureCN1424142 family 13 8
Disintegrin and metalloproteinase domain-containing protein 17... 2 11
5-hydroxytryptamine receptor 2C and 5-hydroxytryptamine recept... 1 0
Sodium-dependent serotonin transporter and Sodium-dependent do... 10 2
MAP kinase-activated protein kinase 2 inhibitor CHEMBL1233942 ... 6 0
Prothrombin inhibitor (2S)-N-[(6-carbamimidoylpyridin-3-yl)met... 2 14
5-hydroxytryptamine receptor 2C and 5-hydroxytryptamine recept... 11 20
Alpha-1B adrenergic receptor and Alpha-1D adrenergic receptor ... 10 1
MAP kinase-activated protein kinase 2 and Mitogen-activated pr... 5 2
Histamine H3 receptor ligand AGN-PC-04YWRD family 5 13
Cellular tumor antigen p53 inhibitor CHEMBL1418224 family 1 62
Gonadotropin-releasing hormone receptor ligand AGN-PC-075KV1 f... 4 1
Survival motor neuron protein and Nonstructural protein 1 inhi... 1 18
Gastrin/cholecystokinin type B receptor and Cholecystokinin re... 2 0
5-hydroxytryptamine receptor 2C and 5-hydroxytryptamine recept... 1 1
5-hydroxytryptamine receptor 1A ligand 2-[4-(quinolin-2-ylmeth... 2 91
5-hydroxytryptamine receptor 2C and 5-hydroxytryptamine recept... 3 8
Somatostatin receptor type 2 ligand (2R,3S)-N-[(5-amino-1,3-di... 2 5
Mitogen-activated protein kinase 1 and Nonstructural protein 1... 1 33
Survival motor neuron protein and Menin inhibitor CHEMBL151109... 1 11
D(2) dopamine receptor and 5-hydroxytryptamine receptor 1A lig... 5 8
72 kDa type IV collagenase and Matrix metalloproteinase-9 inhi... 2 4
Cannabinoid receptor 2 ligand [(4R,4aS,8aR)-4-hydroxy-4-phenyl... 2 41
Gonadotropin-releasing hormone receptor ligand 1-(7-azabicyclo... 4 4
5-hydroxytryptamine receptor 1D and 5-hydroxytryptamine recept... 2 2
Prothrombin and Trypsin-1 inhibitor 2-[6-methyl-2-oxo-3-(2-pyr... 4 2
Acetylcholinesterase inhibitor CHEMBL1651131 family 6 9
Ceramide glucosyltransferase inhibitor AGN-PC-07YS0C family 4 3
Gonadotropin-releasing hormone receptor and Cytochrome P450 3A... 5 1
Substance-P receptor ligand N-[(2S)-5-[3,5-bis(trifluoromethyl... 4 6
5-hydroxytryptamine receptor 1A and D(2) dopamine receptor lig... 18 3
Substance-P receptor and Neuromedin-K receptor ligand SureCN88... 4 14
Renin and Potassium voltage-gated channel subfamily H member 2... 9 2
Mitogen-activated protein kinase 9 and MAP kinase-activated pr... 1 0
C-X-C chemokine receptor type 3 ligand (6aR,9R)-N-phenyl-4-(2-... 5 0
Smoothened homolog inhibitor (8aS)-N-[2-(3-cyanophenyl)pyridin... 3 4
Renin inhibitor [2-[(3-fluoro-2-methylphenyl)methyl]-6-methyl-... 2 1
Sodium-dependent serotonin transporter and 5-hydroxytryptamine... 2 1
Poly [ADP-ribose] polymerase 1 inhibitor CHEMBL186461 family 2 4
CGMP-dependent protein kinase inhibitor AGN-PC-075XII family 25 7
Renin and Potassium voltage-gated channel subfamily H member 2... 13 11
Substance-P receptor and Neuromedin-K receptor ligand 2-[3,5-b... 7 0
Rho-associated protein kinase 2 and Rho-associated protein kin... 2 6
MAP kinase-activated protein kinase 2 inhibitor 4-fluoro-N-[4-... 25 1
C-C chemokine receptor type 3 ligand 1-[(1R,2S)-2-[[3-[(4-fluo... 3 2
Mitogen-activated protein kinase 14 and Mitogen-activated prot... 1 1
Acetylcholinesterase and Cholinesterase inhibitor AGN-PC-009GH... 8 10
Melanin-concentrating hormone receptor 1 and Melanin-concentra... 3 1
Adenosine receptor A2b and Adenosine receptor A2a ligand N-(4-... 2 14
Neuropeptide Y receptor type 5 ligand 2-indol-1-yl-N-[4-[(prop... 7 6
Substance-P receptor ligand [3,5-bis(trifluoromethyl)phenyl]-[... 17 1
Substance-P receptor ligand (3R)-4-[3,5-bis(trifluoromethyl)be... 2 3
High affinity nerve growth factor receptor and BDNF/NT-3 growt... 4 3
Egl nine homolog 1 inhibitor 1'-[(3-methylpyridin-2-yl)methyl]... 6 4
Cathepsin K and Cathepsin S inhibitor (2S)-N-(cyanomethyl)-4-m... 1 0
Melanin-concentrating hormone receptor 1 ligand N-[(3S)-1-[[(3... 2 0
Cathepsin K and Cathepsin B inhibitor (1R,2R)-N-(1-cyanocyclop... 10 7
Probable G-protein coupled receptor 142 ligand (2S)-N-(2-oxo-5... 2 1
Glutamate receptor ionotropic, NMDA 2B ligand N-[3-[2-(4-benzy... 2 0
Renin inhibitor (E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chloro... 6 8
Serine/threonine-protein kinase Chk1 inhibitor SureCN5547533 f... 3 2
Dual specificity protein kinase CLK4 and Mitogen-activated pro... 1 1
RAC-beta serine/threonine-protein kinase and 3-phosphoinositid... 11 4
Coagulation factor X inhibitor 3-chloro-N-[(1S,2S)-2-[[4-(2-ox... 22 3
Gonadotropin-releasing hormone receptor ligand 5-[2-[[(2S)-2-[... 2 0
Gonadotropin-releasing hormone receptor ligand 1-adamantyl-[2-... 3 1
Disintegrin and metalloproteinase domain-containing protein 17... 7 9
Dipeptidyl peptidase 4 inhibitor 2-[(3R)-3-aminopiperidin-1-yl... 3 4
Gonadotropin-releasing hormone receptor ligand 6-[(4-chloro-2-... 3 3
Motilin receptor ligand SureCN2768052 family 3 0
Coagulation factor X inhibitor ethyl (3R,4S)-3-[(3-chloro-1H-i... 5 0
C-C chemokine receptor type 2 ligand 2-[4-(5-amino-1H-indol-3-... 3 2
Tankyrase-1 inhibitor N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1... 3 2
Gonadotropin-releasing hormone receptor ligand SureCN7899418 f... 12 4
Dipeptidyl peptidase 4 and Cytochrome P450 3A4 inhibitor 6-[(3... 7 7
Orexin receptor type 2 and Orexin receptor type 1 ligand 9-(4,... 2 8
cAMP-specific 3',5'-cyclic phosphodiesterase 4B inhibitor 4-[4... 1 1
3-oxo-5-alpha-steroid 4-dehydrogenase 2 and 3-oxo-5-alpha-ster... 2 1
Phospholipase D1 and Phospholipase D2 inhibitor SureCN10311349... 2 14
Histone deacetylase 1 inhibitor (2S)-N'-hydroxy-2-(pyridine-2-... 3 0
Dipeptidyl peptidase 4 and Dipeptidyl peptidase 8 inhibitor (2... 2 2
Somatostatin receptor type 1 and Somatostatin receptor type 2 ... 2 18
C-C chemokine receptor type 2 ligand SureCN5947024 family 11 0
Somatostatin receptor type 1 and Somatostatin receptor type 2 ... 4 11
Glycogen synthase kinase-3 alpha and Glycogen synthase kinase-... 2 1
Hepatocyte growth factor receptor and Protein-tyrosine kinase ... 2 15
Proteinase-activated receptor 1 and Prothrombin ligand (2S)-N-... 3 23
CGMP-dependent protein kinase inhibitor 1-[4-acetyl-3-[[4-[5-(... 2 0
Bombesin receptor subtype-3 ligand SureCN13887096 family 3 1
Platelet-activating factor receptor ligand (1-ethylindol-3-yl)... 17 13
Platelet-activating factor receptor ligand N,N-diethyl-3-[(4R)... 11 0
cAMP-specific 3',5'-cyclic phosphodiesterase 4A and cAMP-speci... 2 2
5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine recept... 2 2
Platelet-activating factor receptor ligand (4R)-N-(3-benzoylph... 2 1
Neuromedin-B receptor and Gastrin-releasing peptide receptor l... 6 4
Stromelysin-3 and Neutrophil collagenase inhibitor AGN-PC-074N... 3 1
Neuromedin-B receptor and Gastrin-releasing peptide receptor l... 2 0
Substance-P receptor and Substance-K receptor ligand N-methyl-... 2 2
Gonadotropin-releasing hormone receptor ligand methyl 4-[2-[[(... 2 1
Growth factor receptor-bound protein 2 ligand [4-[(2S)-2-aceta... 5 2
KiSS-1 receptor ligand SureCN5132924 family 2 4
Gonadotropin-releasing hormone receptor ligand 1-[2-(3,5-dimet... 2 0
Gonadotropin-releasing hormone receptor ligand 1-(7-azabicyclo... 2 0
Sodium-dependent serotonin transporter and D(2) dopamine recep... 1 0
5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine recept... 4 0
Somatostatin receptor type 4 and Somatostatin receptor type 5 ... 3 4
5-hydroxytryptamine receptor 1D and 5-hydroxytryptamine recept... 5 0
Melanin-concentrating hormone receptor 1 ligand SureCN4917950 ... 3 5
5-hydroxytryptamine receptor 7 ligand AGN-PC-00PFK0 family 1 0
Glucocorticoid receptor ligand 5-[(6-methylpyridin-2-yl)methyl... 3 0
Receptor-interacting serine/threonine-protein kinase 1 ligand ... 1 11
Tyrosine-protein kinase JAK3 inhibitor (3Z)-5-pyridin-3-yl-3-(... 1 0
Proto-oncogene Wnt-3 inhibitor CHEMBL563202 family 2 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00444362 CHEMBL521496 Bioactive AGN-PC-0683TX
CFAMM00444360 CHEMBL483785 Bioactive AGN-PC-0683XT

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
 

 

24503 visits since 2014 .........

 



Dr. Chen Yuzong

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


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543