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 CFFBM19458
Family Name Kappa-type opioid receptor and Delta-type opioid receptor ligand 2-(3-isothiocyanatophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide family
No. of Seeds 3 No. of Other Members 1
Family Centroid CFAMM00191063 Functional Category Bioactive
Superfamily Vasopressin-neurophysin 2-copeptin Inhibitor Niravoline Superfamily
Class Class 1597

Cousin Family NamesSeedsMembers
D(2) dopamine receptor and D(3) dopamine receptor ligand indol... 4 123
Mu-type opioid receptor Ligand Fentanyl Family 9 647
Sodium channel Ligand xylidine derivative Mepivacaine Family 10 114
Vasopressin V1a receptor Ligand Felypressin Family 12 820
Alpha adrenergic receptor Ligand Droperidol Family 20 244
Sodium channel protein type 5 subunit alpha Ligand Indecainide... 2 41
Sodium channel protein type 5 subunit alpha Ligand Mephenytoin... 5 51
Sodium channel protein type 5 subunit alpha Ligand Procainamid... 7 291
Alpha-1B adrenergic receptor Ligand Lisdexamfetamine Family 14 443
Glutathione S-transferase Inhibitor Praziquantel Family 5 167
Cholesterol side-chain cleavage enzyme, mitochondrial and Arom... 9 26
DNA Binder Procarbazine Family 8 358
Histone deacetylase 1 Inhibitor Vorinostat Family 26 138
Peripheral carotid chemoreceptor Ligand Doxapram Family 4 36
Motilin receptor Ligand GSK962040 Family 30 457
Kappa-type opioid receptor Ligand Asimadoline Family 14 54
5-hydroxytryptamine receptor 2A and D(2) dopamine receptor Lig... 2 18
Tumor necrosis factor Inhibitor Pirfenidone Family 2 38
Serine/threonine-protein kinase mTOR Inhibitor CC-223 Family 12 135
Pan-DAC Inhibitor AR-42 Family 21 153
Amonafide family 3 35
Bavisant family 9 65
HT-2157 family 1 3
Dual specificity mitogen-activated protein kinase kinase Inhib... 7 69
5-hydroxytryptamine receptor 2A Ligand N-(1-(1-phenylethyl)pip... 22 207
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
Vasopressin V2 receptor Ligand FR161282 Family 17 83
Vasopressin-neurophysin 2-copeptin Inhibitor Niravoline Family 7 45
Vasopressin V1a receptor and Vasopressin V2 receptor Ligand OP... 12 94
Prothrombin Inhibitor D-leucyl-n-(3-chlorobenzyl)-l-prolinamid... 18 168
Prothrombin Inhibitor D-leucyl-n-(4-carbamimidoylbenzyl)-l-pro... 13 44
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
5-hydroxytryptamine receptor 1A and Alpha-1A adrenergic recept... 19 88
Potassium voltage-gated channel subfamily A member 5 Ligand N-... 8 32
3-oxo-5-alpha-steroid 4-dehydrogenase 1 Inhibitor 1-methyl-5-(... 6 17
Aromatase Inhibitor 3-(4-amino-phenyl)-1-methyl-pyrrolidine-2,... 4 8
Neuromedin-K receptor Ligand PD-157672 Family 9 37
Acetyl-CoA acetyltransferase, mitochondrial Inhibitor Octanoic... 4 14
Cathepsin K and Cathepsin L1 Inhibitor N-benzoyl-phenylalanyl-... 13 77
Cannabinoid receptor 1 Ligand 1,3,5-triphenylimidazolidine-2,4... 2 17
Sodium-dependent dopamine transporter and Sodium-dependent nor... 2 13
Acetylcholinesterase Inhibitor Bw-28c51 Family 3 8
Cholecystokinin receptor type A Ligand VL-1499 Family 12 133
Aurora kinase B Inhibitor Hesperadin Family 1 1
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 14 110
Transient receptor potential cation channel subfamily V member... 1 5
Leukotriene A-4 hydrolase Inhibitor N5-[4-benzylphenyl]-l-glut... 2 1
Cannabinoid receptor 2 Ligand N1-(4-bromophenyl)-n2,n2-dipenty... 4 21
Baculoviral IAP repeat-containing protein 3 and E3 ubiquitin-p... 1 1
5-hydroxytryptamine receptor 7 Ligand UCM-5600 Family 15 46
Sodium-dependent dopamine transporter and Sodium-dependent nor... 28 71
Vasopressin V2 receptor Ligand VA-106483 Family 16 115
Muscarinic acetylcholine receptor M4 and Muscarinic acetylchol... 20 55
Neutrophil elastase Inhibitor 3-butyl-3-ethyl-1-phenylazetidin... 6 5
Mitogen-activated protein kinase 14 Inhibitor Dihydro-quinolin... 3 14
Baculoviral IAP repeat-containing protein 3 and E3 ubiquitin-p... 44 28
Bifunctional epoxide hydrolase 2 Inhibitor 1-phenyl-3-(1-propi... 22 183
Muscarinic acetylcholine receptor M1 and Muscarinic acetylchol... 2 80
Aldose reductase Inhibitor (4-methyl-2-oxo-2h-quinolin-1-yl)-a... 1 15
Gamma-aminobutyric acid receptor subunit alpha-1 and Gamma-ami... 15 129
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
Aminopeptidase N Inhibitor 2-cinnamamido-n4-hexyl-n1-hydroxysu... 24 8
5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine recept... 53 289
Prothrombin and Plasminogen inhibitor [(1R)-5-amino-1-[[2-[N-(... 1 0
D(4) dopamine receptor ligand AGN-PC-074VC9 family 2 3
D(4) dopamine receptor and D(2) dopamine receptor ligand AGN-P... 2 1
72 kDa type IV collagenase and Stromelysin-1 inhibitor [(2S)-2... 9 6
Kappa-type opioid receptor ligand 1-[(2S)-2-(pyrrolidin-1-ylme... 4 0
5-hydroxytryptamine receptor 1A and Alpha-1B adrenergic recept... 4 6
Kappa-type opioid receptor and Mu-type opioid receptor ligand ... 5 11
Dipeptidyl peptidase 4 and Dipeptidyl peptidase 8 inhibitor (2... 5 3
Thyroid hormone receptor beta and DNA-(apurinic or apyrimidini... 1 0
Sigma non-opioid intracellular receptor 1 ligand 2-(2-nitrophe... 2 5
72 kDa type IV collagenase and Stromelysin-1 inhibitor (2R)-N-... 2 7
Cellular tumor antigen p53 inhibitor CHEMBL1554992 family 1 0
Matrix metalloproteinase-9 and Stromelysin-1 inhibitor N-[(2S)... 1 1
Melanin-concentrating hormone receptor 1 ligand AGN-PC-075BLN ... 2 1
Kappa-type opioid receptor ligand N-methyl-N-[(1S)-2-pyrrolidi... 3 17
D(4) dopamine receptor ligand 1-Piperidineacetamide, 4-(2-cyan... 3 7
Kappa-type opioid receptor and Mu-type opioid receptor ligand ... 3 0
Kappa-type opioid receptor and Mu-type opioid receptor ligand ... 2 0
5-hydroxytryptamine receptor 1A ligand SureCN4244417 family 10 1
Baculoviral IAP repeat-containing protein 2 and E3 ubiquitin-p... 2 1
Oxytocin receptor and Vasopressin V2 receptor ligand (2R)-2-(2... 4 2
Oxytocin receptor ligand (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-ind... 2 0
Kappa-type opioid receptor and Cytochrome P450 2D6 ligand Sure... 11 9
Dipeptidyl peptidase 2 and Dipeptidyl peptidase 4 inhibitor (2... 3 10
Kinesin-like protein KIF11 and Potassium voltage-gated channel... 4 1
Nociceptin receptor and Mu-type opioid receptor ligand N,N-dim... 5 4
Microsomal triglyceride transfer protein large subunit inhibit... 8 1
Cathepsin K and Cathepsin B inhibitor (1R,2R)-N-(cyanomethyl)-... 1 6
P2X purinoceptor 7 inhibitor SureCN8516206 family 5 1
Baculoviral IAP repeat-containing protein 3 and E3 ubiquitin-p... 3 1
Cannabinoid receptor 2 ligand 1-adamantyl-(5-fluoro-2,3-dihydr... 4 7
Nociceptin receptor and Mu-type opioid receptor ligand AGN-PC-... 4 6
5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine recept... 2 1
5-hydroxytryptamine receptor 1A and D(2) dopamine receptor lig... 5 1
Histamine receptor H3 ligand N-[2-methyl-4-[(3S)-3-[(2S)-2-met... 10 7
C-C chemokine receptor type 2 ligand 2-amino-N-[2-[[(3R)-1-[(4... 5 1
Sodium channel protein type 9 subunit alpha ligand tert-butyl ... 2 30
5-hydroxytryptamine receptor 7 ligand 3-ethyl-3-[4-[4-(4-fluor... 3 1
5-hydroxytryptamine receptor 7 ligand 2-[4-[4-(2-oxo-1,3,4,5-t... 1 0
Kappa-type opioid receptor ligand 1-[4-acetyl-2-[[(3S)-3-hydro... 1 0
Kappa-type opioid receptor and Mu-type opioid receptor ligand ... 3 1
Growth hormone secretagogue receptor type 1 ligand 2-amino-2-m... 4 2
Cholecystokinin receptor type A and Gastrin/cholecystokinin ty... 11 4
Kappa-type opioid receptor ligand SureCN5629426 family 3 2
D(1A) dopamine receptor and D(3) dopamine receptor ligand 1-[4... 1 0
Kappa-type opioid receptor ligand 2-[2-[bis(methylsulfonyl)ami... 2 0
Tyrosine-protein kinase ITK/TSK and Mast/stem cell growth fact... 1 0
Substance-P receptor ligand AGN-PC-073MZ3 family 2 0
Transient receptor potential cation channel subfamily A member... 1 0
Substance-P receptor ligand AGN-PC-01XQZB family 1 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00451935 CHEMBL87483 Bioactive 2-(3-aminophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CFAMM00451933 CHEMBL97392 Bioactive 2-(2-isothiocyanatophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide

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
 

 

24517 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


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