CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00004412" 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 CFAMM00004412
Family CFFAD18 Vasopressin V2 receptor ligand peptide analog Desmopressin family
Superfamily CFSAD18 Oxytocin receptor and Vasopressin V2 receptor Binder Superfamily
Class CFCAD18 Class 18
External ID DNC003934 External Source TTD
PubChem CID 44312363 Functional Category Investigative Drug
Molecule Name Y-c[D-Pen-(3-I)Tyr-GSFC]KR-NH2
IUPAC Name (4S,7R,10S,16S,19S)-N-[(2S)-6-amino-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]-19-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-benzyl-16-[(4-hydroxy-3-iodophenyl)methyl]-10-(hydroxymethyl)-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Synonyms CHEBI:215958;DNC003934;Y-c[D-Pen-(3-I)Tyr-GSFC]KR-NH2
InChi InChI=1S/C52H73IN14O12S2/c1-52(2)42(67-44(73)33(55)22-29-13-16-31(69)17-14-29)50(79)65-36(24-30-15-18-40(70)32(53)21-30)45(74)60-25-41(71)61-38(26-68)48(77)64-37(23-28-9-4-3-5-10-28)47(76)66-39(27-80-81-52)49(78)63-35(11-6-7-19-54)46(75)62-34(43(56)72)12-8-20-59-51(57)58/h3-5,9-10,13-18,21,33-39,42,68-70H,6-8,11-12,19-20,22-27,54-55H2,1-2H3,(H2,56,72)(H,60,74)(H,61,71)(H,62,75)(H,63,78)(H,64,77)(H,65,79)(H,66,76)(H,67,73)(H4,57,58,59)/t33-,34-,35-,36-,37+,38-,39+,42-/m0/s1
Formula C52H73IN14O12S2 Molecular Weight 1277.26
Cross Link CHEMBL436961

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



81414 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', 'CFAMM00004412'),None, txtsearch, CFAMM00004412|