CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00172404" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

Search Results

CFAM Mol ID CFAMM00172404
Family CFFCD820 Gonadotropin-releasing hormone Inhibitor ASP3550 Family
Superfamily CFSCD725 Gonadotropin-releasing hormone Inhibitor ASP3550 Superfamily
Class CFCCD167 Class 980
External ID CHEMBL438629 External Source CHEMBL
PubChem CID 16155294 Functional Category Bioactive
Molecule Name CHEMBL438629
Synonyms CHEBI:448943
InChi InChI=1S/C90H124ClN17O18/c1-9-123-43-45-125-41-38-95-89(121)99-68-32-25-61(26-33-68)50-74(82(114)102-71(47-56(3)4)80(112)101-70(20-13-14-37-94-57(5)6)88(120)108-40-16-21-78(108)87(119)97-58(7)79(92)111)104-84(116)75(51-62-27-34-69(35-28-62)100-90(122)96-39-42-126-46-44-124-10-2)106-86(118)77(55-109)107-85(117)76(53-64-17-15-36-93-54-64)105-83(115)73(49-60-23-30-67(91)31-24-60)103-81(113)72(98-59(8)110)52-63-22-29-65-18-11-12-19-66(65)48-63/h11-12,15,17-19,22-36,48,54,56-58,70-78,94,109H,9-10,13-14,16,20-21,37-47,49-53,55H2,1-8H3,(H2,92,111)(H,97,119)(H,98,110)(H,101,112)(H,102,114)(H,103,113)(H,104,116)(H,105,115)(H,106,118)(H,107,117)(H2,95,99,121)(H2,96,100,122)/t58-,70+,71+,72-,73-,74-,75+,76-,77+,78+/m1/s1
Formula C90H124ClN17O18 Molecular Weight 1767.50
Cross Link CHEMBL438629

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



27674 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

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00172404'),None, txtsearch, CFAMM00172404|