Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5763172

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CSC[C@H](N)[C@@]1(Cc2nccc3oc(CCC4CC4)cc23)OC(C)(C)OC1=O

Basic Information

ChEMBL ID CHEMBL5763172
Phase Preclinical
Structure Type MOL
InChI Key WQFKUOILDUHGPP-GHTZIAJQSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

404.5
MW (Da)
3.45
ALogP
7
HBA
1
HBD
87.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28N2O4S
MW 404.53
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.37

Activity Summary

IC50 2 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucyl-cystinyl aminopeptidase
CHEMBL2693
IC50 6.64 6.64 230.0 1
Leucyl-cystinyl aminopeptidase
CHEMBL3712
IC50 6.54 6.54 290.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine