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 CFFBM10133
Family Name 5-hydroxytryptamine receptor 3A ligand 3-methyl-N-[7-[[3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carbonyl]amino]heptyl]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide family
No. of Seeds 2 No. of Other Members 0
Family Centroid CFAMM00399737 Functional Category Bioactive
Superfamily 5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine receptor 3A Binder Superfamily
Class Class 824

Cousin Family NamesSeedsMembers
HIV protease Inhibitor Saquinavir Family 64 428
Mast/stem cell growth factor receptor Kit and Abelson tyrosine... 6 537
Reverse transcriptase Inhibitor Nevirapine Family 23 640
Neuromedin-K receptor Ligand SB222200 Family 17 235
Calcitonin gene-related peptide type 1 receptor Ligand Telcage... 25 124
Mitogen-activated protein kinase 12 Inhibitor VX-702 Family 3 49
Poly [ADP-ribose] polymerase 1 Inhibitor AG-14699 Family 13 179
Cannabinoid receptor 1 Ligand AZD2207 Family 18 48
Mast/stem cell growth factor receptor Kit and Vascular endothe... 4 47
Gamma-aminobutyric acid receptor Ligand E-2007 Family 7 118
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
Serine/threonine-protein kinase mTOR Inhibitor AZD2014 Family 2 41
Histone deacetylase Inhibitor JNJ-26481585 Family 2 5
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subun... 37 10
CP-18770 family 6 27
JAK Inhibitor Momelotinib Family 33 83
C-C chemokine receptor type 3 Ligand YM-344031 Family 19 106
XL-888 family 16 85
Class II cytokine receptor Ligand IL-10 Family 7 45
Fibroblast growth factor receptor 2 Ligand Interferon Alfa (if... 14 162
Beta-secretase 1 Inhibitor N~3~-(3-pyridin-3-ylbenzyl)pyridine... 31 66
Serine/threonine-protein kinase B-raf Inhibitor 2-(benzylamino... 7 117
D(2) dopamine receptor and D(3) dopamine receptor Ligand Azape... 7 102
Cyclin-dependent kinase 4 Inhibitor 1-(9-oxo-9h-fluoren-4-yl)-... 3 5
cGMP-inhibited 3',5'-cyclic phosphodiesterase A and Cytochrome... 9 40
Histamine H3 receptor Ligand 2-(4-isopropyl-piperazin-1-yl)-qu... 17 29
5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine recept... 19 103
Metabotropic glutamate receptor 5 Ligand 3-cyano-n-(6-methylpy... 4 3
Adenosine receptor A1 and Adenosine receptor A3 Ligand VUF-850... 28 47
Nitric oxide synthase, inducible and Nitric oxide synthase, br... 4 6
Arachidonate 5-lipoxygenase Inhibitor Methyl 2-(benzylamino)-1... 3 10
Adenosine receptor A1 and Adenosine receptor A2a Ligand OSIP-3... 4 31
Calcitonin gene-related peptide type 1 receptor Ligand Isomer ... 30 31
Kappa-type opioid receptor and Mu-type opioid receptor Ligand ... 19 108
Proto-oncogene tyrosine-protein kinase Src Inhibitor 5,7-diphe... 2 11
Glutamate receptor 1 Ligand Piriqualone Family 8 67
Vasopressin V2 receptor Ligand YM-35278 Family 33 38
Acetylcholinesterase and Cholinesterase Inhibitor 3-(2-diethyl... 12 160
Metabotropic glutamate receptor 5 Ligand 3-cyano-5-fluoro-n-(p... 2 9
Acetylcholinesterase and Cholinesterase Inhibitor Huprine-tacr... 62 27
5-hydroxytryptamine receptor 1F and 5-hydroxytryptamine recept... 8 12
Mu-type opioid receptor and Mu-type opioid receptor ligand Sur... 5 10
Integrin beta-3 and Integrin alpha-V inhibitor SureCN547914 fa... 8 32
Gonadotropin-releasing hormone receptor ligand 5-[2-[[(2S)-2-[... 7 58
Integrin beta-3 and Integrin alpha-V inhibitor SureCN3888804 f... 11 13
Transient receptor potential cation channel subfamily V member... 1 4
Serine/threonine-protein kinase D1 inhibitor SureCN1424142 family 13 8
Serine/threonine-protein kinase D1 and Polycystin-2 inhibitor ... 1 0
Serine/threonine-protein kinase D1 and Polycystin-2 inhibitor ... 3 7
Serine/threonine-protein kinase pim-2 and Serine/threonine-pro... 6 9
Caspase-1 inhibitor (3S)-3-[[(2S)-4-[2-(1,2-dimethylindol-3-yl... 3 4
Histamine H3 receptor ligand 1-[1-[1-[(2-aminopyridin-4-yl)met... 16 9
Adenosine receptor A3 ligand N-(5-methyl-2-phenylpyrazolo[4,3-... 5 8
5-hydroxytryptamine receptor 1A ligand AGN-PC-03ZB72 family 10 8
5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine recept... 9 19
5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine recept... 4 0
Glucosylceramidase and Alpha-galactosidase A inhibitor AC1NNEG... 4 5
Gamma-aminobutyric acid receptor subunit gamma-2 and Gamma-ami... 2 0
5-hydroxytryptamine receptor 1D and 5-hydroxytryptamine recept... 3 1
MAP kinase-activated protein kinase 2 inhibitor AGN-PC-0A9QGC ... 14 0
Corticotropin-releasing factor receptor 1 ligand Pyridopyrazin... 3 5
Coagulation factor X and Prothrombin inhibitor 2-carboxyindole... 2 8
Alpha-1D adrenergic receptor and Alpha-1A adrenergic receptor ... 7 12
5-hydroxytryptamine receptor 3A and 5-hydroxytryptamine recept... 18 5
Translocator protein inhibitor N-(4-chlorophenyl)-N-methyl-2-(... 2 0
5-hydroxytryptamine receptor 3A and 5-hydroxytryptamine recept... 9 6
MAP kinase-activated protein kinase 2 inhibitor 4-fluoro-N-[4-... 25 1
Mast/stem cell growth factor receptor Kit and Mitogen-activate... 4 2
Insulin-like growth factor 1 receptor and Mitogen-activated pr... 3 4
Dipeptidyl peptidase 4 inhibitor 2-[[2-[(3R)-3-aminopiperidin-... 1 0
Mitogen-activated protein kinase 10 and Mitogen-activated prot... 8 5
Hematopoietic prostaglandin D synthase inhibitor 4-(3-methylis... 1 7
Oxytocin receptor ligand (3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)... 20 2
Egl nine homolog 2 and Egl nine homolog 1 inhibitor 8-[(3-meth... 3 1
Protein kinase C theta type inhibitor (2-aminopyridin-3-yl)-[6... 4 1
Glycogen synthase kinase-3 beta inhibitor 2-(4-fluorophenyl)-N... 4 2
Substance-P receptor ligand Netupitant family 5 2
Lysine--tRNA ligase inhibitor N-[2-(2-piperazin-1-ylpyridin-4-... 5 0
Lysine--tRNA ligase inhibitor 4-[[2-(2-piperazin-1-ylpyridin-4... 2 0
Melanin-concentrating hormone receptor 1 and Melanin-concentra... 9 0
Microsomal triglyceride transfer protein large subunit inhibit... 13 0
Melanin-concentrating hormone receptor 1 and Melanin-concentra... 9 2
Smoothened homolog inhibitor 3-pyridin-3-yl-N-[1-[[6-[4-[(3-py... 1 0
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10... 3 1
Neuromedin-K receptor and Potassium voltage-gated channel subf... 13 2
Dipeptidyl peptidase 4 and Dipeptidyl peptidase 2 inhibitor 6-... 1 0
Acetyl-CoA carboxylase 2 and Acetyl-CoA carboxylase 1 inhibito... 6 0
G-protein coupled bile acid receptor 1 ligand 2-(ethylamino)-6... 5 4
Disintegrin and metalloproteinase domain-containing protein 17... 7 9
Disintegrin and metalloproteinase domain-containing protein 17... 2 1
Motilin receptor ligand SureCN2768052 family 3 0
Adenosine receptor A3 and Adenosine receptor A1 ligand 2-pheny... 9 2
Orexin receptor type 2 and Orexin receptor type 1 ligand 9-(4,... 2 8
Orexin receptor type 2 and Orexin receptor type 1 ligand SureC... 2 0
Histamine H3 receptor ligand [1-[(2-aminopyridin-4-yl)methyl]-... 2 0
Phospholipase D1 and Phospholipase D2 inhibitor SureCN10311349... 2 14
Alpha-1A adrenergic receptor and Alpha-1B adrenergic receptor ... 3 0
Dihydrofolate reductase and Bifunctional dihydrofolate reducta... 3 2
Alpha-1A adrenergic receptor and Alpha-1D adrenergic receptor ... 2 0
Mast/stem cell growth factor receptor Kit and Tyrosine-protein... 4 1
P2Y purinoceptor 12 inhibitor (4S)-4-[(4,6-diphenylpyridine-2-... 1 0
LIM domain kinase 2 inhibitor 3-[[(cyanoamino)-[(2S)-2-methyl-... 6 0
Dihydrofolate reductase inhibitor N-(2,4-diamino-5-methylquina... 2 0
Acetyl-CoA carboxylase 2 and Acetyl-Coenzyme A carboxylase 2 i... 1 0
Cannabinoid receptor 2 ligand AGN-PC-00SRU5 family 2 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00399737 CHEMBL2011470 Bioactive 3-methyl-N-[7-[[3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carbonyl]amino]heptyl]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
CFAMM00399738 CHEMBL2011586 Bioactive 3-methyl-N-[2-[2-[2-[[3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carbonyl]amino]ethoxy]ethoxy]ethyl]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide

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
 

 

27277 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