CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00303572" 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 CFAMM00303572
Family CFFID4169 Protein kinase C alpha type Inhibitor Dequalinium Analogue Family
Superfamily CFSID2117 Protein kinase C alpha type and Protein kinase C theta type Binder Superfamily
Class CFCCD303 Class 1116
External ID CHEMBL2111043 External Source CHEMBL
PubChem CID 72452 Functional Category Bioactive
Molecule Name Isometamidium
IUPAC Name 3-[2-(3-amino-5-ethyl-6-phenylphenanthridin-5-ium-8-yl)iminohydrazinyl]benzenecarboximidamide
Synonyms Samorin;3-amino-8-[(1e)-3-(3-carbamimidoylphenyl)triaz-1-en-1-yl]-5-ethyl-6-phenylphenanthridinium;20438-03-3;ISMM;6798-24-9;UNII-S9HA0WUW3H;SureCN913500;AC1L2I3S;AC1Q1U8Y;SureCN7550257
InChi InChI=1S/C28H25N7/c1-2-35-26-16-20(29)11-13-24(26)23-14-12-22(17-25(23)27(35)18-7-4-3-5-8-18)33-34-32-21-10-6-9-19(15-21)28(30)31/h3-17,29H,2H2,1H3,(H4,30,31,32,33)/p+1
InChiKey UGKOYGZYLRKTJH-UHFFFAOYSA-O
Formula C28H26N7 Molecular Weight 460.55
Cross Link CHEMBL2111043
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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