CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00140036" 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.

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CFAM Mol ID CFAMM00140036
Family CFFCD160 Toll-like receptor 9 Ligand TLR9 Agonist Family
Superfamily CFSCD25 Toll-like receptor 9 and Melanin-concentrating hormone receptor 1 Binder Superfamily
Class CFCAD78 Class 78
External ID DCL000249 External Source TTD
PubChem CID 24796742 Functional Category Clinical Trial Drug
Molecule Name TLR9 agonist
IUPAC Name
Synonyms TLR9 agonist;DCL000249;DCL000662
InChi InChI=1S/C21H24N2O2.C4H6O6/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18;5-1(3(7)8)2(6)4(9)10/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t13-,19+,21-;1-,2-/m01/s1
InChiKey JYBKPXVXYJDIFX-DBOHFVDDSA-N
Formula C25H30N2O8 Molecular Weight 486.51
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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