CFam Chemical Families Database
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You are searching for "CFAMM00009484" in compound.

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CFAM Mol ID CFAMM00009484
Family CFFAD60 5-hydroxytryptamine receptor 1B and 5-hydroxytryptamine receptor 1D ligand triptan analog Frovatriptan family
Superfamily CFSAD59 5-hydroxytryptamine receptor 1B and 5-hydroxytryptamine receptor 1D ligand triptan analog Frovatriptan Superfamily
Class CFCAD59 Class 59
External ID CHEMBL265288 External Source CHEMBL
PubChem CID 44321101 Functional Category Bioactive
Molecule Name 1-(3-azabicyclo[2.2.2]octan-3-yl)-2-[2-(3,5-dimethylphenyl)-3-[(2S)-1-(4-pyridin-4-ylbutylamino)propan-2-yl]-1H-indol-5-yl]-2-methylpropan-1-one
IUPAC Name 1-(3-azabicyclo[2.2.2]octan-3-yl)-2-[2-(3,5-dimethylphenyl)-3-[(2S)-1-(4-pyridin-4-ylbutylamino)propan-2-yl]-1H-indol-5-yl]-2-methylpropan-1-one
Synonyms CHEBI:240503
InChi InChI=1S/C39H50N4O/c1-26-20-27(2)22-31(21-26)37-36(28(3)24-41-17-7-6-8-29-15-18-40-19-16-29)34-23-32(11-14-35(34)42-37)39(4,5)38(44)43-25-30-9-12-33(43)13-10-30/h11,14-16,18-23,28,30,33,41-42H,6-10,12-13,17,24-25H2,1-5H3/t28-,30?,33?/m1/s1
InChiKey YIYXKSVVEYNIOV-ZVAVAYMBSA-N
Formula C39H50N4O Molecular Weight 590.84
Cross Link CHEMBL265288
Structure

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
 

 

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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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