CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00234890" 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 CFAMM00234890
Family CFFID1300 Plasmepsin-1 Inhibitor SC-5003 Family
Superfamily CFSAD716 Bacterial outer membrane Inhibitor Polymyxin B Superfamily
Class CFCAD607 Class 607
External ID CHEMBL354379 External Source CHEMBL
PubChem CID 465775 Functional Category Bioactive
Molecule Name AC1LACAU
IUPAC Name (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-3-(3,6-dihydro-2H-thiopyran-5-carbonylamino)-2-hydroxy-4-phenylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
Synonyms CHEBI:384476;(3S,4aS,8aS)-N-(tert-Butyl)-2-{(2R,3S)-3-[(5,6-dihydro-2H-thiopyran-3-ylcarbonyl)amino]-2-hydroxy-4-phenylbutyl}decahydroisoquinoline-3-carboxamide;(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-3-(3,6-dihydro-2H-thiopyran-5-carbonylamino)-2-hydroxy-4-phenylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
InChi InChI=1S/C30H45N3O3S/c1-30(2,3)32-29(36)26-17-22-12-7-8-13-23(22)18-33(26)19-27(34)25(16-21-10-5-4-6-11-21)31-28(35)24-14-9-15-37-20-24/h4-6,10-11,14,22-23,25-27,34H,7-9,12-13,15-20H2,1-3H3,(H,31,35)(H,32,36)/t22-,23+,25-,26-,27+/m0/s1
Formula C30H45N3O3S Molecular Weight 527.76
Cross Link CHEMBL354379

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



81683 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', 'CFAMM00234890'),None, txtsearch, CFAMM00234890|