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

CHEMBL6016640

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
CC(C)SC[C@H](N)[C@](O)(Cc1nccc2oc(CCC3CC3)cc12)C(=O)O

Basic Information

ChEMBL ID CHEMBL6016640
Phase Preclinical
Structure Type MOL
InChI Key BNZUQFXAVMRADL-AZUAARDMSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
3.00
ALogP
6
HBA
3
HBD
109.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H28N2O4S
MW 392.52
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.27

Activity Summary

IC50 2 meas. best 8.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucyl-cystinyl aminopeptidase
CHEMBL3712
IC50 8.59 8.59 2.6 1
Leucyl-cystinyl aminopeptidase
CHEMBL2693
IC50 7.68 7.68 21.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine