CFam Chemical Families Database
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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 CFFID1982
Family Name Neuronal acetylcholine receptor subunit alpha-4 and Neuronal acetylcholine receptor subunit beta-2 Ligand N-methyl-4-(pyridin-3-yl)but-3-yn-1-amine Family
No. of Seeds 13 No. of Other Members 26
Family Centroid CFAMM00256345 Functional Category Investigative Drug with Natural Product
Superfamily Histamine H1 receptor ligand Pheniramine Triprolidine, Nicotinic acetylcholine receptor ligand Nicotine Superfamily
Class Class 141

Cousin Family NamesSeedsMembers
5-hydroxytryptamine receptor 2C ligand Tetracyclic antidepress... 14 498
D(2) dopamine receptor and D(1A) dopamine receptor ligand ergo... 12 720
5-hydroxytryptamine receptor 1B and 5-hydroxytryptamine recept... 4 171
CGMP-inhibited 3',5'-cyclic phosphodiesterase Inhibitor Amrino... 3 55
Glutamate dehydrogenase inhibitor quinoline derivative Chloroq... 7 189
Nicotinic acetylcholine receptor Ligand Nicotine Family 14 686
D(1A) dopamine receptor ligand ergot alkaloid Methylergonovine... 22 170
Neuronal acetylcholine receptor subunit alpha-4 Ligand Varenic... 3 54
Histamine H1 receptor ligand tricyclic antidepressant Deslorat... 6 136
Muscarinic acetylcholine receptor M4 Ligand Tropicamide Family 3 73
Cytochrome P450 11B1, mitochondrial Inhibitor Metyrapone Family 9 243
Thromboxane A2 receptor Ligand Ridogrel Family 7 83
Sodium channel protein type 5 subunit alpha Ligand Disopyramid... 4 352
Acetylcholinesterase Inhibitor Tacrine Family 12 515
Farnesyl pyrophosphate synthase Inhibitor Risedronate Family 4 28
D(2) dopamine receptor Ligand Sertindole Family 3 173
Histamine H1 receptor Ligand Pheniramine Family 10 380
Histamine H1 receptor Ligand Triprolidine Family 19 316
Enoyl-[acyl-carrier-protein] reductase [NADH] Inhibitor Ethion... 5 68
26S proteasome Inhibitor Bortezomib Family 7 65
SUR2-type K(ATP) channel Ligand Nicorandil Family 5 85
Prothrombin Inhibitor Ximelegatran Family 8 157
G protein-activated inward rectifier potassium channel 4 Ligan... 3 48
Transient receptor potential cation channel subfamily V member... 15 158
Vascular endothelial growth factor Inhibitor PTC299 Family 6 145
Mitogen-activated protein kinase 14 Inhibitor Losmapimod Family 5 154
Potassium voltage-gated channel subfamily KQT member 1 Ligand ... 13 242
Reverse transcriptase Inhibitor Dapivirine Family 5 72
Gamma-aminobutyric acid receptor Ligand E-2007 Family 7 118
D(1B) dopamine receptor Ligand LE-300 Family 65 452
5-hydroxytryptamine receptor 1A and D(2) dopamine receptor Lig... 14 234
Neuronal acetylcholine receptor subunit alpha-4 and Neuronal a... 23 63
Amg 423 family 7 47
ABC294640 family 5 75
C-C chemokine receptor type 3 Ligand YM-344031 Family 19 106
5-hydroxytryptamine receptor 2A Ligand RP-68303 Family 7 44
Dipeptidyl peptidase 4 Inhibitor Nvp-dpp728 Family 11 42
cGMP-dependent 3',5'-cyclic phosphodiesterase Inhibitor CP-461... 4 34
Nicotinic acetylcholine receptor Ligand Epibatidine Family 36 19
5-hydroxytryptamine receptor 2A and 5-hydroxytryptamine recept... 6 17
Ribonucleoside-diphosphate reductase large subunit Inhibitor T... 1 1
Carbonic anhydrase 2 Inhibitor Cyanamide Family 2 32
Beta-secretase 1 Inhibitor 6-[2-(1h-indol-6-yl)ethyl]pyridin-2... 10 43
Beta-secretase 1 Inhibitor N~3~-(3-pyridin-3-ylbenzyl)pyridine... 31 66
D(2) dopamine receptor and D(3) dopamine receptor Ligand 4-(4-... 3 15
D(2) dopamine receptor and D(3) dopamine receptor Ligand 4-(4-... 6 48
Aromatase Inhibitor Rogletimide Family 1 2
Histone deacetylase 1 and Histone deacetylase 2 Inhibitor Cycl... 1 0
Epidermal growth factor receptor Ligand PD-158780 Family 98 89
D(2) dopamine receptor and D(3) dopamine receptor Ligand Azape... 7 102
Potassium voltage-gated channel subfamily H member 2 Ligand 5-... 5 14
5-hydroxytryptamine receptor 2A Ligand 8-chloro-1,2,3,4-tetrah... 5 4
cAMP-specific 3',5'-cyclic phosphodiesterase 4A Inhibitor 8-(3... 4 19
Scytalone dehydratase Inhibitor Isoquinolin-1-yl-(3-phenyl-pro... 4 9
cGMP-inhibited 3',5'-cyclic phosphodiesterase A and Cytochrome... 9 40
Cytochrome P450 11B1, mitochondrial and Aromatase Inhibitor 5-... 3 5
Histone deacetylase 1 and Histone deacetylase 2 Inhibitor N-(4... 4 21
Cytochrome P450 11B1, mitochondrial and Aromatase Inhibitor 3-... 2 11
Cytochrome P450 3A4 Inhibitor 3-(3-methylthiophen-2-yl)pyridin... 5 27
Histamine H3 receptor Ligand 2-(4-isopropyl-piperazin-1-yl)-qu... 17 29
Steroid 17-alpha-hydroxylase/17,20 lyase and Cytochrome P450 1... 7 16
Cytochrome P450 11B1, mitochondrial and Aromatase Inhibitor 3-... 14 22
Adenosine receptor A1 and Adenosine receptor A2a Ligand 3-benz... 1 6
5-hydroxytryptamine receptor 6 Ligand 4-(1h-indol-1-ylsulfonyl... 7 79
Metabotropic glutamate receptor 5 Ligand 2-methyl-6-(4-phenylb... 6 32
5-hydroxytryptamine receptor 2A and 5-hydroxytryptamine recept... 3 2
Poly [ADP-ribose] polymerase 1 Inhibitor 1,7,8,9-tetrahydro-1,... 19 64
Inosine-5'-monophosphate dehydrogenase 2 Inhibitor 1-methyl-1h... 6 24
Transient receptor potential cation channel subfamily V member... 6 23
D(4) dopamine receptor Ligand ABT-670 Family 4 14
Trypsin Inhibitor 1-benzyl-1h-indole-5-carboxamidine Family 4 3
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
Transient receptor potential cation channel subfamily V member... 2 26
Farnesyl pyrophosphate synthase Inhibitor Piridronic Acid Family 3 14
Corticosteroid 11-beta-dehydrogenase isozyme 1 Inhibitor 2-(4-... 8 25
Nitric oxide synthase, inducible and Nitric oxide synthase, br... 9 24
Carbonic anhydrase 2 and Carbonic anhydrase 9 Inhibitor Quinol... 4 13
5-hydroxytryptamine receptor 6 Ligand 6-tosyl-1,2,3,4,5,6-hexa... 4 22
Cytochrome P450 11B1, mitochondrial and Aromatase Inhibitor 5-... 4 10
Steroid 17-alpha-hydroxylase/17,20 lyase and Cytochrome P450 1... 2 4
Hepatocyte growth factor receptor Ligand 1-benzyl-1h-pyrrolo[3... 2 16
Bifunctional epoxide hydrolase 2 Inhibitor N-(3,3-diphenyl-pro... 6 14
Indoleamine 2,3-dioxygenase 1 Inhibitor 4-(1h-1,2,3-triazol-5-... 3 12
Protein kinase C theta type Inhibitor 4-(3h-indol-4-ylamino)-5... 2 2
Acetylcholinesterase and Cholinesterase Inhibitor 1,9-bis(pyri... 8 38
Mitogen-activated protein kinase 14 Inhibitor N-(4-fluorobenzy... 19 32
Carbonic anhydrase 1 and Carbonic anhydrase 2 Inhibitor 4-(met... 4 15
Prostaglandin G/H synthase 1 Inhibitor 1-(4-aminosulfonylpheny... 3 18
Steroid 17-alpha-hydroxylase/17,20 lyase and Cytochrome P450 1... 2 4
Cathepsin S Inhibitor 6-(3-(trifluoromethyl)phenyl)picolinonit... 7 2
Macrophage migration inhibitory factor Inhibitor 1-(2-chloroph... 2 22
Cathepsin L1 Inhibitor (3-bromobenzoylpyridine)thiosemicarbazo... 1 0
Sodium-dependent serotonin transporter Inhibitor 3-(3-aminocyc... 94 23
Ribosyldihydronicotinamide dehydrogenase [quinone] Inhibitor N... 6 10
Reverse transcriptase Inhibitor PT-102 Family 8 12
Cytochrome P450 11B1, mitochondrial Inhibitor 2-methyl-1,2-di-... 8 15
5-hydroxytryptamine receptor 2A and Amine oxidase [flavin-cont... 10 18
Gamma-aminobutyric acid receptor subunit alpha-1 Ligand 3-chlo... 3 2
Reverse transcriptase Inhibitor PT-109 Family 6 7
Vasopressin V1a receptor and Vasopressin V1b receptor Ligand D... 10 19
Amine oxidase [flavin-containing] A Inhibitor N-benzyl-1h-pyrr... 12 46
Amine oxidase [flavin-containing] A and Amine oxidase [flavin-... 4 6
Metabotropic glutamate receptor 5 Ligand 5-(2-methylquinolin-7... 4 3
Metabotropic glutamate receptor 5 Ligand 7-m-tolyl-1,6-naphthy... 4 2
Metabotropic glutamate receptor 5 Ligand 3-m-tolyl-1,5-naphthy... 6 10
Fatty-acid amide hydrolase 1 Inhibitor 6-fluoropyridin-3-ylbor... 1 2
Metabotropic glutamate receptor 5 Ligand 5-((6-methylpyridin-2... 14 22
Acetylcholinesterase Inhibitor N-benzyl-2-morpholinopyrimidin-... 6 16
Tyrosinase Inhibitor 5-(pyridin-4-yl)-1,3,4-thiadiazole-2(3h)-... 1 1
Nitric oxide synthase, inducible and Nitric oxide synthase, br... 1 4
Protein kinase C alpha type Inhibitor Dequalinium Analogue Family 1 10
Acetylcholinesterase and Cholinesterase Inhibitor Huprine-tacr... 62 27
Choline kinase alpha Inhibitor Bisquinolinium Derivative Family 10 7
Bifunctional epoxide hydrolase 2 and Cytochrome P450 3A4 inhib... 1 13
Histamine H3 receptor and Potassium voltage-gated channel subf... 3 3
5-hydroxytryptamine receptor 1A and D(1A) dopamine receptor li... 2 3
Metabotropic glutamate receptor 5 ligand [18F]FDEGPECO family 5 2
Neuronal acetylcholine receptor subunit alpha-4 and Neuronal a... 4 5
Progesterone receptor and Androgen receptor ligand 5-[4-[(Z)-C... 2 5
Alpha-1A adrenergic receptor and Alpha-1B adrenergic receptor ... 3 1
Sodium-dependent serotonin transporter inhibitor SureCN6087152... 1 0
Prelamin-A/C and Survival motor neuron protein inhibitor CHEMB... 1 0
Acetylcholine receptor subunit delta ligand Guanidine, N-[(6-c... 2 15
Acetylcholine receptor subunit delta and Neuronal acetylcholin... 3 5
Platelet-activating factor receptor ligand YM-461 family 1 11
Nicotinamide phosphoribosyltransferase and Prelamin-A/C inhibi... 1 0
Prostaglandin E synthase inhibitor AGN-PC-09QHBK family 3 1
Kappa-type opioid receptor and Mu-type opioid receptor ligand ... 2 0
Gamma-aminobutyric acid receptor subunit alpha-1 and Gamma-ami... 1 0
Amine oxidase [flavin-containing] B and Amine oxidase [flavin-... 1 1
Metabotropic glutamate receptor 5 ligand AGN-PC-0A9SQ6 family 3 0
Sodium-dependent serotonin transporter and Sodium-dependent no... 5 3
CGMP-dependent protein kinase inhibitor AGN-PC-075XII family 25 7
Metabotropic glutamate receptor 5 ligand AGN-PC-075X3R family 1 1
Neuronal acetylcholine receptor subunit alpha-4 and Neuronal a... 3 0
Neuronal acetylcholine receptor subunit alpha-4 and Neuronal a... 2 0
Neuronal acetylcholine receptor subunit alpha-4 and Neuronal a... 1 4
Neuronal acetylcholine receptor subunit alpha-4 and Neuronal a... 5 2
D(4) dopamine receptor and 5-hydroxytryptamine receptor 1A lig... 2 1
Neuronal acetylcholine receptor subunit beta-2 and Neuronal ac... 8 0
Neuronal acetylcholine receptor subunit alpha-4 and Neuronal a... 3 3
Neuronal acetylcholine receptor subunit alpha-4 and Neuronal a... 7 0
5-hydroxytryptamine receptor 6 ligand 5-[3-(2-aminoethyl)indol... 1 0
Neuronal acetylcholine receptor subunit alpha-6 ligand AGN-PC-... 2 0
Neuronal acetylcholine receptor subunit alpha-4 and Neuronal a... 3 1
Androgen receptor ligand AGN-PC-009ZOP family 3 3
Neuronal acetylcholine receptor subunit alpha-4 and Neuronal a... 2 1
Neuronal acetylcholine receptor subunit beta-2 and Neuronal ac... 2 1
Platelet-activating factor receptor ligand SureCN9853140 family 3 3
Neuronal acetylcholine receptor subunit beta-2 and Neuronal ac... 2 4
Neuronal acetylcholine receptor subunit alpha-4 and Neuronal a... 2 5
5-hydroxytryptamine receptor 3E and 5-hydroxytryptamine recept... 1 1
Neuronal acetylcholine receptor subunit beta-2 and Neuronal ac... 1 0
D(3) dopamine receptor and D(4) dopamine receptor ligand (7S)-... 1 2
CGMP-dependent protein kinase inhibitor AGN-PC-075INU family 1 1
Neuronal acetylcholine receptor subunit alpha-4 and Neuronal a... 10 1
Neuronal acetylcholine receptor subunit beta-2 and Neuronal ac... 1 0
Neuropeptide Y receptor type 5 ligand SureCN4464548 family 17 2
Nociceptin receptor and Mu-type opioid receptor ligand N-[(1R,... 4 2
Thymidylate synthase inhibitor AGN-PC-00EUGY family 2 7
Sodium-dependent noradrenaline transporter and Sodium-dependen... 5 7
Neuronal acetylcholine receptor subunit alpha-4 and Neuronal a... 2 3
Nuclear receptor ROR-gamma and Prelamin-A/C ligand 13463-41-7 ... 1 7
Histamine H3 receptor ligand AGN-PC-09M6FC family 1 9
Beta-secretase 2 and Beta-secretase 1 inhibitor 2-cyclopropyl-... 1 1
Acetylcholine-binding protein and Neuronal acetylcholine recep... 1 5
Nonstructural protein 1 and Cruzipain inhibitor CHEMBL1331578 ... 1 2
Tyrosyl-DNA phosphodiesterase 1 and Inositol monophosphatase 1... 1 3
Amine oxidase [flavin-containing] A and Amine oxidase [flavin-... 1 0
Farnesyl pyrophosphate synthase inhibitor [[(5-benzylpyridin-3... 1 0
Potassium voltage-gated channel subfamily A member 5 and Inter... 2 0
Potassium voltage-gated channel subfamily H member 2 ligand 1-... 1 0
Cytochrome P450 3A4 inhibitor N-[2-fluoro-4-(4-fluorophenyl)ph... 2 1
Neuronal acetylcholine receptor subunit alpha-3 and Neuronal a... 1 5
Alpha-2A adrenergic receptor and Alpha-2C adrenergic receptor ... 1 4
Kinesin-like protein KIF11 inhibitor AGN-PC-077SFB family 1 0
Nitric oxide synthase, brain inhibitor SureCN1387416 family 2 0
Pyridines and Derivatives Metabolite (S)-Actinidine Family 1 0
Azoles Metabolite 1H-Pyrrolo[2,1-c][1,4]thiazine Family 1 1
NP 3-((1-(3-(2-(pyridin-3-yl)piperidin-1-yl)prop-1-yn-1-yl)cyc... 12 0
methyl-1H-pyrrole NP (z)-2-((3,4-dimethyl-1h-pyrrol-2-yl)methy... 3 0
N-[2-(1-oxidopyridin-1-ium-2-yl)ethyl]-N-phenylacetamide NP 2-... 1 2
Putative NP ZINC38570085 Family 14 0
Putative NP ZINC19701930 Family 2 2
1,5-dioxidopyrrolo[3,2-c]pyridin-5-ium NP Agn-pc-0639xa Family 1 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00256350 CHEMBL1939776 Bioactive AGN-PC-0BSOBH
CFAMM00256367 CHEMBL72284 Bioactive AGN-PC-074GUJ
CFAMM00256382 CHEMBL142258 Bioactive N-ethyl-N-methyl-2-pyridin-3-ylethanimidamide
CFAMM00256362 CHEMBL290534 Bioactive (2E,6E)-3,7,11-trimethyl-N-(pyridin-3-ylmethyl)dodeca-2,6,10-trien-1-amine
CFAMM00256353 CHEMBL62765 Bioactive AGN-PC-074CX7
CFAMM00256370 CHEMBL323325 Bioactive Pyridine, 3-(2-azetidinyl)-
CFAMM00256352 CHEMBL2177538 Bioactive (1S,5R)-7-pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene
CFAMM00256345 DNC006438 Investigative Drug N-methyl-4-(pyridin-3-yl)but-3-yn-1-amine

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
 

 

25251 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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