CFam Chemical Families Database
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You are searching for "CFAMM00048094" in compound.

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

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CFAM Mol ID CFAMM00048094
Family CFFAD298 Parathyroid hormone/parathyroid hormone-related peptide receptor ligand peptide Teriparatide Family
Superfamily CFSAD20 Peptide hormone receptor bindng peptide Superfamily
Class CFCAD20 Class 20
External ID DCL000074 External Source TTD
PubChem CID 23725087 Functional Category Clinical Trial Drug
Molecule Name Bremelanotide
IUPAC Name (3S,6S,9R,12S,15S,23S)-15-[[(2S)-2-acetamidohexanoyl]amino]-9-benzyl-6-[3-(diaminomethylideneamino)propyl]-12-(imidazol-1-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-23-carboxylic acid
Synonyms
InChi InChI=1S/C50H68N14O10/c1-3-4-16-35(57-30(2)65)43(67)62-40-26-42(66)54-20-11-10-18-37(49(73)74)59-46(70)39(25-32-27-56-34-17-9-8-15-33(32)34)61-44(68)36(19-12-21-55-50(51)52)58-45(69)38(24-31-13-6-5-7-14-31)60-48(72)41(63-47(40)71)28-64-23-22-53-29-64/h5-9,13-15,17,22-23,27,29,35-41,56H,3-4,10-12,16,18-21,24-26,28H2,1-2H3,(H,54,66)(H,57,65)(H,58,69)(H,59,70)(H,60,72)(H,61,68)(H,62,67)(H,63,71)(H,73,74)(H4,51,52,55)/t35-,36-,37-,38+,39-,40-,41-/m0/s1
InChiKey CWPOKMRNYWXXLC-MFVUMRCOSA-N
Formula C50H68N14O10 Molecular Weight 1025.16
Cross Link
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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