CFAM Mol ID	CFAMM00173781
Family	CFFID9 Neuropeptide Y receptor type 1 Ligand BIBO3304 Family
Superfamily	CFSID7 Prothrombin and Neuropeptide Y receptor type 1 Binder Superfamily
Class	CFCID4 Class 1354
External ID	CHEMBL1956255	External Source	CHEMBL
PubChem CID	11686297	Functional Category	Bioactive
Molecule Name	2-[3-[(2S,5S,8S,14R)-14-benzyl-5-[3-(diaminomethylideneamino)propyl]-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine
IUPAC Name	2-[3-[(2S,5S,8S,14R)-14-benzyl-5-[3-(diaminomethylideneamino)propyl]-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine
Synonyms	Cyclo[-Arg-Arg-Nal-Gly-(D-Phe)-]
InChi	InChI=1S/C36H47N11O5/c37-35(38)41-16-6-12-26-32(50)45-27(13-7-17-42-36(39)40)33(51)47-28(20-23-14-15-24-10-4-5-11-25(24)18-23)31(49)43-21-30(48)44-29(34(52)46-26)19-22-8-2-1-3-9-22/h1-5,8-11,14-15,18,26-29H,6-7,12-13,16-17,19-21H2,(H,43,49)(H,44,48)(H,45,50)(H,46,52)(H,47,51)(H4,37,38,41)(H4,39,40,42)/t26-,27-,28-,29+/m0/s1
InChiKey	AJLYIQIZHSFNCU-XFTNXAEASA-N
Formula	C36H47N11O5	Molecular Weight	713.83
Cross Link	CHEMBL1956255
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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