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 CFFBM8521
Family Name Histone deacetylase 1 inhibitor (E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]methyl]phenyl]prop-2-enamide family
No. of Seeds 2 No. of Other Members 8
Family Centroid CFAMM00388506 Functional Category Bioactive
Superfamily RAC-gamma serine/threonine-protein kinase Inhibitor AZD5363 Superfamily
Class Class 1234

Cousin Family NamesSeedsMembers
Gamma-aminobutyric acid A receptor Ligand imidazopyridine deri... 5 644
Mast/stem cell growth factor receptor Kit and Abelson tyrosine... 6 537
Alpha-2 adrenergic receptor Ligand Dexmedetomidine Family 32 639
C-X-C chemokine receptor type 4 Ligand AMD-070 Family 12 800
Transient receptor potential cation channel subfamily V member... 15 457
Vascular endothelial growth factor Inhibitor PTC299 Family 6 145
Fibroblast growth factor receptor 2 and Fibroblast growth fact... 11 86
Tyrosine-protein kinase JAK2 Inhibitor INCB18424 Family 3 130
Translocator protein Inhibitor Emapunil Family 7 89
5-hydroxytryptamine receptor 1A and D(2) dopamine receptor Lig... 14 234
Adenosine receptor A1 Ligand SLV320 Family 6 79
Aurora kinase B and Aurora kinase C Inhibitor GSK1070916 Family 53 580
RAC-gamma serine/threonine-protein kinase Inhibitor AZD5363 Fa... 35 69
SB989 family 17 91
Histone deacetylase 6 Inhibitor ACY-1215 Family 10 230
JAK Inhibitor Momelotinib Family 33 83
Vascular endothelial growth factor receptor 2 Ligand XL999 Family 11 87
Platelet activating factor, putative Inhibitor ABT-491 Family 22 62
D(4) dopamine receptor Ligand L-745,870 Family 30 205
CGMP-inhibited 3',5'-cyclic phosphodiesterase Inhibitor Olprin... 2 7
Corticotropin-releasing factor receptor 1 Ligand R121919 Family 26 84
Interleukin-1 receptor type 1 and Mitogen-activated protein ki... 7 151
Histamine H3 receptor Ligand SCH79687 Family 11 29
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
Adenosine receptor A1 and Adenosine receptor A2a Ligand 2,6-di... 13 14
Steroid 17-alpha-hydroxylase/17,20 lyase and Aromatase Inhibit... 18 109
Vascular endothelial growth factor receptor 1 and Vascular end... 6 23
Serine/threonine-protein kinase B-raf Inhibitor 2-(benzylamino... 7 117
Epidermal growth factor receptor Ligand PD-158780 Family 98 89
Arachidonate 5-lipoxygenase Inhibitor 2,4,5-triarylimidazole A... 3 16
Scytalone dehydratase Inhibitor Isoquinolin-1-yl-(3-phenyl-pro... 4 9
Aromatase and Thromboxane-A synthase Inhibitor 6-(1h-imidazol-... 3 8
Adenosine receptor A3 Ligand 1-benzyl-1h-1,3,4b,9-tetraaza-flu... 19 165
Mitogen-activated protein kinase 3 and RAF proto-oncogene seri... 8 5
Alpha-1A adrenergic receptor Ligand A-315456 Family 7 17
RAC-gamma serine/threonine-protein kinase and Rho-associated p... 16 46
Metabotropic glutamate receptor 5 Ligand 2-m-tolyl-1,8-naphthy... 7 11
Adenosine receptor A1 and Adenosine receptor A3 Ligand VUF-850... 28 47
Melanocortin receptor 3 and Melanocortin receptor 4 Ligand Ac-... 38 60
Mitogen-activated protein kinase 14 and Tyrosine-protein kinas... 3 9
Dipeptidyl peptidase 4 Inhibitor (5-phenyl-3h-benzo[d]imidazol... 5 13
Indoleamine 2,3-dioxygenase 1 Inhibitor 3-(4h-imidazol-4-yl)be... 6 3
RAF proto-oncogene serine/threonine-protein kinase Inhibitor L... 219 124
Glycogen synthase kinase-3 beta Inhibitor CHIR-98023 Family 5 6
Adenosine receptor A1 and Adenosine receptor A2a Ligand OSIP-3... 4 31
Histamine H3 receptor Ligand 4-(2-(phenylamino)ethyl)-1h-imida... 5 16
Gamma-aminobutyric acid receptor subunit alpha-1 Ligand N-(9h-... 5 2
Type-2 angiotensin II receptor Ligand L-158809 Family 22 136
Proto-oncogene tyrosine-protein kinase Src Inhibitor CGP-62464... 3 10
Proto-oncogene tyrosine-protein kinase Src Inhibitor 5,7-diphe... 2 11
Sodium channel protein type 1 subunit alpha and Sodium channel... 10 14
Xanthine dehydrogenase/oxidase Inhibitor 3,5-di(pyridin-4-yl)-... 6 3
Cytochrome P450 2D6 and Cytochrome P450 3A4 Inhibitor 2-(2-(4-... 25 10
5-hydroxytryptamine receptor 1F and 5-hydroxytryptamine recept... 8 12
Prothrombin inhibitor SureCN5856722 family 3 16
Neuronal acetylcholine receptor subunit alpha-7 and Potassium ... 7 3
Mu-type opioid receptor and Mu-type opioid receptor ligand Sur... 5 10
Bombesin receptor subtype-3 ligand (2R)-1-[4-[2-[5-(2,2-dimeth... 1 1
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10... 4 2
Serine/threonine-protein kinase mTOR and Phosphatidylinositol ... 10 3
Tyrosine-protein kinase JAK1 and Tyrosine-protein kinase JAK2 ... 3 12
Serine/threonine-protein kinase mTOR and Phosphatidylinositol ... 2 12
Histone deacetylase 1 and Histone deacetylase 8 inhibitor (E)-... 3 0
RAC-alpha serine/threonine-protein kinase inhibitor SureCN4728... 11 6
Macrophage colony-stimulating factor 1 receptor and Cytochrome... 13 3
RAC-alpha serine/threonine-protein kinase and Proline-rich AKT... 2 4
RAC-alpha serine/threonine-protein kinase inhibitor (2S)-3-ami... 2 0
Prelamin-A/C and Lethal(3)malignant brain tumor-like protein 1... 1 1
Nuclear receptor ROR-gamma and Mitogen-activated protein kinas... 1 10
Gonadotropin-releasing hormone receptor ligand 1-(7-azabicyclo... 4 4
Prothrombin and Trypsin-1 inhibitor 2-[6-methyl-2-oxo-3-(2-pyr... 4 2
Cannabinoid receptor 2 and Cannabinoid receptor 1 ligand AGN-P... 5 0
Signal transducer and activator of transcription 6 inhibitor A... 3 0
Serine/threonine-protein kinase mTOR and Phosphatidylinositol ... 3 0
MAP kinase-activated protein kinase 2 inhibitor AGN-PC-0A9QGC ... 14 0
MAP kinase-activated protein kinase 2 inhibitor CHEMBL1801305 ... 2 0
Tyrosine-protein kinase JAK2 and Tyrosine-protein kinase JAK3 ... 14 2
Serine/threonine-protein kinase pim-2 and Serine/threonine-pro... 9 2
Heat shock protein HSP 90-beta inhibitor N-[(9R)-4-(3H-imidazo... 1 0
Tyrosine-protein kinase JAK1 inhibitor CHEMBL2206623 family 10 11
Ribosomal protein S6 kinase alpha-3 inhibitor N-(3-ethylimidaz... 2 2
Serine/threonine-protein kinase mTOR inhibitor 5-(2-amino-3H-b... 3 1
Cell division cycle 7-related protein kinase and Protein DBF4 ... 15 7
Casein kinase II subunit alpha and Serine/threonine-protein ki... 1 5
Cell division cycle 7-related protein kinase and Dual specific... 3 1
Protein kinase C theta type and Leucine-rich repeat serine/thr... 1 1
Vascular endothelial growth factor receptor 2 ligand (3Z)-3-[5... 4 11
Glycogen synthase kinase-3 beta inhibitor N-[2-[4-(ethylsulfon... 3 1
Glycogen synthase kinase-3 beta inhibitor 2-(4-fluorophenyl)-N... 4 2
High affinity nerve growth factor receptor ligand N-[3-amino-5... 4 10
Smoothened homolog inhibitor N-[4-methyl-3-(5-phenyl-1H-imidaz... 1 0
Inhibitor of nuclear factor kappa-B kinase subunit beta and In... 3 4
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10... 5 6
5-hydroxytryptamine receptor 2B ligand SureCN1299437 family 6 7
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subun... 1 1
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
Eukaryotic translation initiation factor 2-alpha kinase 3 and ... 4 0
cAMP-specific 3',5'-cyclic phosphodiesterase 4B inhibitor 4-[4... 1 1
Cathepsin K and Cathepsin S inhibitor SureCN4138353 family 3 0
Corticosteroid 11-beta-dehydrogenase isozyme 1 inhibitor AGN-P... 3 0
LIM domain kinase 2 inhibitor (2S)-N-cyano-N'-(3-cyanophenyl)-... 4 0
Gamma-aminobutyric acid receptor subunit pi and GABA theta sub... 2 22
D(4) dopamine receptor and D(3) dopamine receptor ligand SureC... 1 0
Type-1 angiotensin II receptor ligand SureCN7390271 family 2 1
Nociceptin receptor and Mu-type opioid receptor ligand SureCN5... 1 0
G2/mitotic-specific cyclin-B2 and Cyclin-dependent kinase 1 in... 2 1
Gonadotropin-releasing hormone receptor ligand SureCN3275214 f... 5 0
Cyclin-dependent kinase 2 and Potassium voltage-gated channel ... 12 7
Serine/threonine-protein kinase B-raf inhibitor imidazole-base... 2 0
Cell division cycle 7-related protein kinase and Cyclin-depend... 2 0
Melanin-concentrating hormone receptor 1 ligand SureCN3834858 ... 2 1
Bifunctional epoxide hydrolase 2 and Potassium voltage-gated c... 1 0
LIM domain kinase 2 inhibitor 3-[[(cyanoamino)-[(2S)-2-methyl-... 6 0
Poly [ADP-ribose] polymerase 1 and Poly [ADP-ribose] polymeras... 4 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00388506 CHEMBL1819266 Bioactive (E)-N-hydroxy-3-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
CFAMM00388505 CHEMBL1819267 Bioactive (E)-3-[4-[[2-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide

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
 

 

27058 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