CFam Chemical Families Database
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You are searching for "CFAMM00012760" in compound.

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CFAM Mol ID CFAMM00012760
Family CFFAD65 D(2) dopamine receptor and D(1A) dopamine receptor ligand ergoline derivative Pergolide family
Superfamily CFSAD64 D(2) dopamine receptor and D(1A) dopamine receptor ligand ergoline derivative Pergolide Superfamily
Class CFCAD64 Class 64
External ID DNC011952 External Source TTD
PubChem CID 68847 Functional Category Investigative Drug
Molecule Name Etisulergine
IUPAC Name (6aR,9S,10aR)-9-(diethylsulfamoylamino)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
Synonyms etisulergine[inn];Etisulergina;Etisulerginum;AC1L2AKJ;SureCN219311;Etisulerginum [INN-Latin];AC1Q6V8T;Etisulergina [INN-Spanish];CHEMBL38992;UNII-28N73Q6O7Y
InChi InChI=1S/C19H28N4O2S/c1-4-23(5-2)26(24,25)21-14-10-16-15-7-6-8-17-19(15)13(11-20-17)9-18(16)22(3)12-14/h6-8,11,14,16,18,20-21H,4-5,9-10,12H2,1-3H3/t14-,16+,18+/m0/s1
InChiKey YHEIHLVIKSTGJE-YXJHDRRASA-N
Formula C19H28N4O2S Molecular Weight 376.52
Cross Link CHEMBL38992
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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