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Compound Detail

CHEMBL5954866

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

Basic Information

ChEMBL ID CHEMBL5954866
Phase Preclinical
Structure Type MOL
InChI Key KVEJLBZBKZDLGW-FUHWJXTLSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

396.5
MW (Da)
0.90
ALogP
7
HBA
3
HBD
143.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H24N2O6S
MW 396.47
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.10

Activity Summary

IC50 2 meas. best 7.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucyl-cystinyl aminopeptidase
CHEMBL3712
IC50 7.03 7.03 94.0 1
Leucyl-cystinyl aminopeptidase
CHEMBL2693
IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine