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 CFFCD327
Family Name Substance-P receptor Ligand Orvepitant Family
No. of Seeds 11 No. of Other Members 46
Family Centroid CFAMM00151144 Functional Category Clinical Trial Drug
Superfamily Substance-P receptor Ligand Orvepitant Superfamily
Class Class 1036

Cousin Family NamesSeedsMembers
D(2) dopamine receptor ligand diphenylbutylpiperidine derivati... 10 157
Histamine H1 receptor ligand piperazine derivative Cyclizine F... 16 140
5-hydroxytryptamine receptor 3A Ligand Palonosetron Family 12 403
Alpha-1B adrenergic receptor Ligand Lisdexamfetamine Family 14 443
Glutathione S-transferase Inhibitor Praziquantel Family 5 167
Squalene monooxygenase Inhibitor Naftifine Family 8 32
Noradrenergic re-uptake and Serotonin re-uptake Inhibitor Diet... 29 276
DNA Binder Procarbazine Family 8 358
Microsomal triglyceride transfer protein large subunit Inhibit... 15 208
Substance-P receptor Ligand Vestipitant Family 14 137
Bavisant family 9 65
Zicronapine family 43 62
5-hydroxytryptamine receptor 2A Ligand N-(1-(1-phenylethyl)pip... 22 207
Sodium- and chloride-dependent glycine transporter 1 Inhibitor... 11 67
Dipeptidyl peptidase 4 Inhibitor Denagliptin Family 24 151
Hemagglutinin Inhibitor Cl 385319 Family 18 101
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
72 kDa type IV collagenase and Matrix metalloproteinase-9 Inhi... 40 87
Farnesyltransferase beta subunit, putative and Protein farnesy... 6 3
Cathepsin K and Cathepsin L1 Inhibitor N-benzoyl-phenylalanyl-... 13 77
Melanocortin receptor 3 and Melanocortin receptor 4 Ligand Tic... 11 31
Delta-type opioid receptor and Kappa-type opioid receptor Liga... 41 24
Bifunctional epoxide hydrolase 2 Inhibitor 1-adamantan-1-yl-3-... 11 6
Histamine H3 receptor Ligand N-benzyl-4-cyclopentylpiperazine-... 3 19
D(2) dopamine receptor and D(3) dopamine receptor Ligand ST-19... 5 27
Sodium-dependent dopamine transporter and Sodium-dependent nor... 28 71
Muscarinic acetylcholine receptor M4 and Muscarinic acetylchol... 20 55
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
Sodium-dependent serotonin transporter Inhibitor Irindalone Fa... 16 9
Sodium-dependent serotonin transporter Inhibitor Tefludazine F... 8 9
Muscarinic acetylcholine receptor M1 and Muscarinic acetylchol... 2 80
Aminopeptidase N Inhibitor N1-(4-chlorobenzyl)-2-benzyl-n3-hyd... 9 86
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
Cannabinoid receptor 1 and Cannabinoid receptor 2 Ligand N-(3-... 1 7
Substance-P receptor ligand AGN-PC-00FJ8P family 6 10
C-C chemokine receptor type 5 ligand AC1NUIO8 family 12 11
Sigma non-opioid intracellular receptor 1 and 5-hydroxytryptam... 2 7
Muscarinic acetylcholine receptor M2 ligand [4-[(3R)-3-methyl-... 3 4
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
Muscarinic acetylcholine receptor M2 ligand AGN-PC-0745OU family 6 6
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
Substance-P receptor and Neuromedin-K receptor ligand (3R,4S)-... 2 2
Substance-P receptor and Neuromedin-K receptor ligand N-[(3R,4... 2 0
Cathepsin K and Cathepsin S inhibitor (2S)-N-(cyanomethyl)-2-[... 14 4
Substance-P receptor ligand AGN-PC-075NUD family 4 1
D(1A) dopamine receptor and 5-hydroxytryptamine receptor 2A li... 2 0
Shiga toxin 1 variant B subunit and Shiga toxin 1 variant A su... 1 3
Substance-P receptor ligand AGN-PC-075NRR family 2 1
5-hydroxytryptamine receptor 1A and D(3) dopamine receptor lig... 2 0
Acetylcholinesterase inhibitor 5-benzoyl-2-[2-(1-benzylpiperid... 2 3
Neuromedin-K receptor ligand SureCN2477089 family 2 4
5-hydroxytryptamine receptor 2C and 5-hydroxytryptamine recept... 6 0
Dipeptidyl peptidase 8 inhibitor (2S)-2-amino-4-[4-[bis(4-fluo... 2 9
Sigma non-opioid intracellular receptor 1 ligand (10aS)-2-(2-p... 1 2
Sigma non-opioid intracellular receptor 1 ligand 2-(3-bromophe... 5 1
Lysine-specific histone demethylase 1A and Amine oxidase [flav... 2 1
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 and Potassium voltage-gated channel subfa... 4 7
Kinesin-like protein KIF11 and Potassium voltage-gated channel... 4 1
Histamine H3 receptor and Potassium voltage-gated channel subf... 9 0
Substance-P receptor ligand (3R,4R)-1-(1-acetylpiperidine-4-ca... 9 1
C-C chemokine receptor type 2 ligand (2S)-N-[[3,5-bis(trifluor... 1 0
Histamine H3 receptor and Acetylcholinesterase ligand 1-[4-[[4... 1 2
Substance-P receptor ligand AGN-PC-073QYE family 6 11
Melanin-concentrating hormone receptor 1 and Potassium voltage... 4 4
C-C chemokine receptor type 2 ligand (1S,3R)-N-[[3-fluoro-5-(t... 22 27
P2X purinoceptor 7 inhibitor SureCN8516206 family 5 1
P2X purinoceptor 7 inhibitor (4S)-3-methyl-N-[[2-methyl-3-(tri... 3 0
Muscarinic acetylcholine receptor M3 and Muscarinic acetylchol... 3 1
Muscarinic acetylcholine receptor M3 and Muscarinic receptor 3... 1 0
Baculoviral IAP repeat-containing protein 3 and E3 ubiquitin-p... 3 1
Nociceptin receptor and Kappa-type opioid receptor ligand Pipe... 1 0
Kappa-type opioid receptor and Mu-type opioid receptor ligand ... 3 1
Sodium-dependent serotonin transporter and Transporter inhibit... 7 2
Substance-P receptor and Potassium voltage-gated channel subfa... 6 0
Follicle-stimulating hormone receptor ligand N-[[3-[4-[[(2S,5S... 7 0
Substance-P receptor ligand AGN-PC-03I9DJ family 3 0
Substance-P receptor and Potassium voltage-gated channel subfa... 5 1
C-C chemokine receptor type 5 and Potassium voltage-gated chan... 4 0
Prolyl endopeptidase inhibitor [(2S)-2-(pyrrolidine-1-carbonyl... 3 0
Kappa-type opioid receptor ligand SureCN5629426 family 3 2
Melanin-concentrating hormone receptor 1 and Potassium voltage... 1 0
Melanocortin receptor 4 and Melanocortin receptor 3 ligand (2S... 2 0
Nociceptin receptor and Mu-type opioid receptor ligand AGN-PC-... 2 1
C-C chemokine receptor type 5 ligand N-benzyl-N-[(3R)-1-[(1S,5... 1 3
Muscarinic acetylcholine receptor M3 ligand N-[[4-fluoro-3-[3-... 3 0
D(4) dopamine receptor and D(2) dopamine receptor ligand SureC... 1 0
5-hydroxytryptamine receptor 2C and 5-hydroxytryptamine recept... 1 1
C-C chemokine receptor type 2 ligand (2S)-N-[[3,5-bis(trifluor... 1 1
Histamine H3 receptor ligand (2S)-N-(2,3-dihydro-1H-inden-2-yl... 2 1
Substance-P receptor ligand AGN-PC-074VYH family 4 0
5-hydroxytryptamine receptor 1A and Alpha-1A adrenergic recept... 1 1
Mu-type opioid receptor and Kappa-type opioid receptor ligand ... 2 7


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00151169 CHEMBL1672050 Bioactive (2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CFAMM00151168 CHEMBL1672051 Bioactive (2R,4S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CFAMM00151166 CHEMBL1672053 Bioactive (2R,4S)-4-(4-acetylpiperazin-1-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
CFAMM00151193 CHEMBL2441372 Bioactive (2R,4S)-4-[(8aR)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
CFAMM00151172 CHEMBL1672055 Bioactive (2R,4R)-4-(4-acetylpiperazin-1-yl)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
CFAMM00151143 CHEMBL140124 Bioactive AGN-PC-075NU6
CFAMM00151192 CHEMBL2441373 Bioactive (2R,4R)-4-[(8aS)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
CFAMM00151178 CHEMBL1672052 Bioactive (2R,4R)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CFAMM00151191 CHEMBL2441371 Bioactive (2R,4R)-4-[(8aR)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
CFAMM00151144 DCL000585 Clinical Trial Drug Orvepitant
CFAMM00151148 DCL000741 Clinical Trial Drug Casopitant

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
 

 

21785 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