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 CFFBM10468
Family Name Histamine H3 receptor and Potassium voltage-gated channel subfamily H member 2 ligand 6-[4-(pyrrolidine-1-carbonyl)phenyl]-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one family
No. of Seeds 9 No. of Other Members 0
Family Centroid CFAMM00402359 Functional Category Bioactive
Superfamily Kappa-type opioid receptor and C-C chemokine receptor type 5 Binder Superfamily
Class Class 1062

Cousin Family NamesSeedsMembers
Mu-type opioid receptor Ligand Fentanyl Family 9 647
5-hydroxytryptamine receptor 3A Ligand Palonosetron Family 12 403
Amine oxidase [flavin-containing] A Inhibitor Moclobemide Family 5 255
Glutathione S-transferase Inhibitor Praziquantel Family 5 167
Noradrenergic re-uptake and Serotonin re-uptake Inhibitor Diet... 29 276
Tumor necrosis factor Inhibitor Thalidomide Family 3 50
DNA Binder Procarbazine Family 8 358
Noradrenergic re-uptake Inhibitor Milnacipran Family 7 51
Peripheral carotid chemoreceptor Ligand Doxapram Family 4 36
Microsomal triglyceride transfer protein large subunit Inhibit... 15 208
Substance-P receptor Ligand Orvepitant Family 11 46
Bavisant family 9 65
5-hydroxytryptamine receptor 2A Ligand N-(1-(1-phenylethyl)pip... 22 207
Aldose reductase Inhibitor Alrestatin Family 2 11
Sodium- and chloride-dependent glycine transporter 1 Inhibitor... 11 67
Potassium voltage-gated channel subfamily A member 5 Ligand S-... 34 206
Dipeptidyl peptidase 4 Inhibitor Denagliptin Family 24 151
Hemagglutinin Inhibitor Cl 385319 Family 18 101
Neutrophil elastase Inhibitor FK-706 Family 8 85
Poly(ADP-ribose) glycohydrolase Inhibitor N-bis-(3-phenyl-prop... 3 7
Enoyl-[acyl-carrier-protein] reductase [NADH] Inhibitor N-(4-m... 8 37
Beta-secretase 1 Inhibitor N-(1-benzylpiperidin-4-yl)-4-sulfan... 7 62
Poly [ADP-ribose] polymerase 1 Inhibitor 3,4-dihydro-5-methyl-... 3 2
72 kDa type IV collagenase and Matrix metalloproteinase-9 Inhi... 40 87
Plasmepsin-2 Inhibitor PS-222036 Family 12 134
Farnesyltransferase beta subunit, putative and Protein farnesy... 6 3
Histone deacetylase 1 Inhibitor 8-(3-benzoyl-ureido)-octanoic ... 7 13
Histone deacetylase 1 and Histone deacetylase 2 Inhibitor N-(6... 1 12
Cathepsin K and Cathepsin L1 Inhibitor N-benzoyl-phenylalanyl-... 13 77
Sodium-dependent dopamine transporter and Sodium-dependent nor... 10 28
Caspase-3 Inhibitor 2-phenethylisoquinoline-1,3,4-trione Family 6 0
Delta-type opioid receptor and Kappa-type opioid receptor Liga... 41 24
D(2) dopamine receptor and D(3) dopamine receptor Ligand ST-19... 5 27
Thyroid hormone receptor alpha and Thyroid hormone receptor be... 4 10
Serine/threonine-protein kinase Chk1 Inhibitor 6-(3-aminopropy... 2 7
5-hydroxytryptamine receptor 7 Ligand UCM-5600 Family 15 46
Sodium-dependent dopamine transporter and Sodium-dependent nor... 28 71
Cannabinoid receptor 1 Ligand N-(3,3-diphenyl)propyl-2-phenyla... 4 18
Vasopressin V2 receptor Ligand VA-106483 Family 16 115
Muscarinic acetylcholine receptor M4 and Muscarinic acetylchol... 20 55
Baculoviral IAP repeat-containing protein 3 and E3 ubiquitin-p... 44 28
Muscarinic acetylcholine receptor M1 and Muscarinic acetylchol... 9 66
Arachidonate 5-lipoxygenase Inhibitor N-hydroxy-n-methyl-benza... 3 9
Sodium channel protein type 1 subunit alpha and Sodium channel... 4 31
Muscarinic acetylcholine receptor M1 and Muscarinic acetylchol... 2 80
5-hydroxytryptamine receptor 2A Ligand N-(1-(4-nitrobenzyl)pip... 4 6
5-hydroxytryptamine receptor 2A Ligand N-(1-(3-bromobenzyl)pip... 6 10
Prolyl endopeptidase Inhibitor SUAM-1221 Family 42 47
Voltage-dependent calcium channel gamma-1 subunit Ligand NP-11... 8 9
Substance-P receptor ligand AGN-PC-00FJ8P family 6 10
C-C chemokine receptor type 5 ligand AC1NUIO8 family 12 11
Substance-K receptor ligand 4-(4-methylphenyl)-N-[1-[[(2S)-5-[... 6 0
Vasopressin V1a receptor and Vasopressin V2 receptor ligand [2... 2 4
Prolyl endopeptidase inhibitor SureCN194654 family 3 4
Disintegrin and metalloproteinase domain-containing protein 17... 4 1
Sigma non-opioid intracellular receptor 1 and 5-hydroxytryptam... 2 7
C-C chemokine receptor type 5 ligand AC1L9USC family 3 2
Kappa-type opioid receptor ligand 6-[2-oxo-2-[(2S)-2-(pyrrolid... 6 4
Kappa-type opioid receptor ligand 1-[(2S)-2-(pyrrolidin-1-ylme... 4 0
Histamine H3 receptor ligand 1-(4-pentan-3-ylpiperazin-1-yl)-2... 3 1
Kappa-type opioid receptor and Mu-type opioid receptor ligand ... 5 11
Dipeptidyl peptidase 4 and Dipeptidyl peptidase 8 inhibitor (2... 5 3
C-C chemokine receptor type 2 and Potassium voltage-gated chan... 3 0
Shiga toxin 1 variant B subunit and Shiga toxin 1 variant A su... 1 3
Prolyl endopeptidase inhibitor (2R)-1-[(2S)-1-[3-[(2R)-2-acety... 15 9
Acetylcholinesterase inhibitor 5-benzoyl-2-[2-(1-benzylpiperid... 2 3
Prelamin-A/C and Ras-related protein Rab-9A inhibitor CHEMBL15... 1 7
5-hydroxytryptamine receptor 1A ligand U93385 family 4 1
Prothrombin inhibitor AGN-PC-09QJ23 family 2 5
Metabotropic glutamate receptor 5 ligand SureCN504295 family 1 7
Kappa-type opioid receptor and Mu-type opioid receptor ligand ... 1 4
Mitogen-activated protein kinase 14 and Cytochrome P450 2C9 in... 2 0
Dipeptidyl peptidase 8 inhibitor (2S)-2-amino-4-[4-[bis(4-fluo... 2 9
Substance-P receptor ligand 3-[bis(4-fluorophenyl)methyl]-1-[[... 2 10
Melanin-concentrating hormone receptor 1 ligand AGN-PC-075C6K ... 3 22
Kappa-type opioid receptor and Mu-type opioid receptor ligand ... 3 0
Melanin-concentrating hormone receptor 1 ligand 1-(3-acetyl-1,... 8 4
Sigma non-opioid intracellular receptor 1 ligand (10aS)-2-(2-p... 1 2
Substance-P receptor ligand (3R,4R)-1-(1-acetylpiperidine-4-ca... 7 3
Substance-P receptor ligand (3S,4S)-N-[[3,5-bis(trifluoromethy... 8 9
Oxytocin receptor and Vasopressin V2 receptor ligand (2R)-2-(2... 4 2
Dipeptidyl peptidase 2 and Dipeptidyl peptidase 4 inhibitor (2... 3 10
Substance-P receptor ligand (3R,4R)-1-(1-acetylpiperidine-4-ca... 9 1
Dipeptidyl peptidase 4 inhibitor (2S,3S)-3-amino-4-[(3S)-3-flu... 1 5
Microsomal triglyceride transfer protein large subunit inhibit... 8 1
Melanin-concentrating hormone receptor 1 and Cytochrome P450 2... 3 4
Melanin-concentrating hormone receptor 1 and Potassium voltage... 4 4
P2X purinoceptor 7 inhibitor SureCN8516206 family 5 1
P2X purinoceptor 7 inhibitor (4S)-3-methyl-N-[[2-methyl-3-(tri... 3 0
Baculoviral IAP repeat-containing protein 3 and E3 ubiquitin-p... 3 1
5-hydroxytryptamine receptor 2C and 5-hydroxytryptamine recept... 2 1
Cannabinoid receptor 2 ligand 1-adamantyl(1,3-dihydroisoindol-... 1 0
C-C chemokine receptor type 2 ligand 2-amino-N-[2-[[(3R)-1-[(4... 5 1
Kappa-type opioid receptor and Mu-type opioid receptor ligand ... 3 1
5-hydroxytryptamine receptor 1A ligand [(7S,8R)-7-(dipropylami... 4 0
Follicle-stimulating hormone receptor ligand N-[[3-[4-[[(2S,5S... 7 0
Substance-P receptor and Potassium voltage-gated channel subfa... 5 1
Prolyl endopeptidase inhibitor [(2S)-2-(pyrrolidine-1-carbonyl... 3 0
Kappa-type opioid receptor ligand SureCN5629426 family 3 2
Prolyl endopeptidase and Seprase inhibitor [(2R)-1-[2-[benzoyl... 2 0
Prolyl endopeptidase inhibitor 2-{3-[(2s)-4,4-Difluoro-2-(Pyrr... 2 2
Histamine H3 receptor ligand [(3aR,6aR)-4-[4-[2-[(2R)-2-methyl... 6 0
C-C chemokine receptor type 5 ligand N-benzyl-N-[(3R)-1-[(1S,5... 1 3
Phospholipase D1 and Phospholipase D2 inhibitor N-[(2S)-1-[4-(... 3 5
Muscarinic acetylcholine receptor M3 ligand N-[[4-fluoro-3-[3-... 3 0
5-hydroxytryptamine receptor 1A ligand 8-[4-[[(2R)-8-acetyl-5-... 1 0
5-hydroxytryptamine receptor 2A and 5-hydroxytryptamine recept... 1 0
Delta-type opioid receptor and Mu-type opioid receptor ligand ... 1 0
Sigma non-opioid intracellular receptor 1 ligand AGN-PC-074TEL... 1 7
Histone deacetylase 1 and Potassium voltage-gated channel subf... 1 4
Substance-P receptor ligand AGN-PC-0760FI family 1 0
Muscarinic acetylcholine receptor M2 ligand 3-[(1Z)-1-benzylid... 2 0
Reverse transcriptase/RNaseH inhibitor (R)-(+)9B-(3-METHYL)PHE... 5 24
5-hydroxytryptamine receptor 1A and Alpha-1A adrenergic recept... 1 1
Histone deacetylase 6 inhibitor AGN-PC-0C5HOH family 1 1


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00402362 CHEMBL2031866 Bioactive 6-[4-(cyclopropanecarbonyl)phenyl]-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
CFAMM00402361 CHEMBL2031878 Bioactive 6-[2-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
CFAMM00402360 CHEMBL2031879 Bioactive 6-[3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
CFAMM00402359 CHEMBL2031875 Bioactive 6-[4-(pyrrolidine-1-carbonyl)phenyl]-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one

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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