CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00393250" 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 CFAMM00393250
Family CFFBM9142 Beta-secretase 1 inhibitor (2S)-2-[(3S)-3-acetamido-3-butan-2-yl-2-oxopyrrolidin-1-yl]-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-propoxypyrrolidin-2-yl]propan-2-yl]-4-phenylbutanamide family
Superfamily CFSBM4746 Beta-secretase 1 and Muscarinic acetylcholine receptor M3 Binder Superfamily
Class CFCID94 Class 1444
External ID CHEMBL1916001 External Source CHEMBL
PubChem CID 11628699 Functional Category Bioactive
Molecule Name (2S)-2-[(3S)-3-acetamido-3-butan-2-yl-2-oxopyrrolidin-1-yl]-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-hydroxypyrrolidin-2-yl]propan-2-yl]-4-phenylbutanamide
IUPAC Name (2S)-2-[(3S)-3-acetamido-3-butan-2-yl-2-oxopyrrolidin-1-yl]-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-hydroxypyrrolidin-2-yl]propan-2-yl]-4-phenylbutanamide
Synonyms SureCN8268005
InChi InChI=1S/C33H44F2N4O5/c1-4-20(2)33(38-21(3)40)12-13-39(32(33)44)29(11-10-22-8-6-5-7-9-22)31(43)37-28(30(42)27-18-26(41)19-36-27)16-23-14-24(34)17-25(35)15-23/h5-9,14-15,17,20,26-30,36,41-42H,4,10-13,16,18-19H2,1-3H3,(H,37,43)(H,38,40)/t20?,26-,27-,28+,29+,30-,33+/m1/s1
Formula C33H44F2N4O5 Molecular Weight 614.72
Cross Link CHEMBL1916001

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



54564 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', 'CFAMM00393250'),None, txtsearch, CFAMM00393250|