CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00320114" 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 CFAMM00320114
Family CFFBM1153 Thymidylate synthase inhibitor (2R)-2-[[(4S)-4-carboxy-4-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid family
Superfamily CFSBM78 Thymidylate synthase Binder Superfamily
Class CFCCD440 Class 1253
External ID CHEMBL333402 External Source CHEMBL
PubChem CID 44343832 Functional Category Bioactive
Molecule Name (2S)-2-[[4-[(3-amino-1-oxo-5,6-dihydro-4H-benzo[f]quinazolin-8-yl)sulfonyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
IUPAC Name (2S)-2-[[4-[(3-amino-1-oxo-5,6-dihydro-4H-benzo[f]quinazolin-8-yl)sulfonyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
Synonyms CHEBI:292017
InChi InChI=1S/C27H25N5O8S/c1-2-13-32(17-6-3-15(4-7-17)24(35)29-21(26(37)38)11-12-22(33)34)41(39,40)18-8-9-19-16(14-18)5-10-20-23(19)25(36)31-27(28)30-20/h1,3-4,6-9,14,21H,5,10-13H2,(H,29,35)(H,33,34)(H,37,38)(H3,28,30,31,36)/t21-/m0/s1
Formula C27H25N5O8S Molecular Weight 579.58
Cross Link CHEMBL333402

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



60129 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', 'CFAMM00320114'),None, txtsearch, CFAMM00320114|