CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00454098" 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 CFAMM00454098
Family CFFBM20012 Coagulation factor X inhibitor JTV-803 free base family
Superfamily CFSBM7775 Coagulation factor X Binder Superfamily 12
Class CFCBM379 Class 3429
External ID CHEMBL535369 External Source CHEMBL
PubChem CID 11329440 Functional Category Bioactive
Molecule Name SureCN6188082
IUPAC Name methyl 4-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]pyridine-3-carboxylate;dihydrochloride
Synonyms AGN-PC-006WT3;methyl 4-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]pyridine-3-carboxylate;dihydrochloride
InChi InChI=1S/C23H29N5O3.2ClH/c1-30-22(29)20-13-26-8-4-21(20)27-9-5-16(6-10-27)15-31-19-3-2-17-7-11-28(23(24)25)14-18(17)12-19;;/h2-4,8,12-13,16H,5-7,9-11,14-15H2,1H3,(H3,24,25);2*1H
Formula C23H31Cl2N5O3 Molecular Weight 496.43
Cross Link CHEMBL535369

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



27433 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', 'CFAMM00454098'),None, txtsearch, CFAMM00454098|