CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00141766" 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 CFAMM00141766
Family CFFCD189 Adenosine receptor A2a Ligand Atl-146e Family
Superfamily CFSCD172 Adenosine receptor A2a Binder Superfamily
Class CFCAD172 Class 172
External ID DNC014669 External Source TTD
PubChem CID 44387499 Functional Category Investigative Drug
Molecule Name AdcAhxArg4Lys-PEGOMe
IUPAC Name (2S,3S,4R,5R)-N-[6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[6-amino-1-[2-(2-methoxyethoxy)ethylamino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide
Synonyms CHEMBL426336;CHEBI:395979;DNC014669
InChi InChI=1S/C51H93N25O12/c1-86-25-26-87-24-23-63-41(80)29(11-4-5-17-52)72-43(82)31(13-8-20-65-49(56)57)74-45(84)33(15-10-22-67-51(60)61)75-44(83)32(14-9-21-66-50(58)59)73-42(81)30(12-7-19-64-48(54)55)71-34(77)16-3-2-6-18-62-46(85)38-36(78)37(79)47(88-38)76-28-70-35-39(53)68-27-69-40(35)76/h27-33,36-38,47,78-79H,2-26,52H2,1H3,(H,62,85)(H,63,80)(H,71,77)(H,72,82)(H,73,81)(H,74,84)(H,75,83)(H2,53,68,69)(H4,54,55,64)(H4,56,57,65)(H4,58,59,66)(H4,60,61,67)/t29?,30-,31-,32-,33-,36-,37+,38-,47+/m0/s1
InChiKey JBQKHDQXRCCDGW-NZDGIOGASA-N
Formula C51H93N25O12 Molecular Weight 1248.44
Cross Link CHEMBL426336
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
 

 

27277 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', 'CFAMM00141766'),None, txtsearch, CFAMM00141766|