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Compound Detail

CHEMBL5920027

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N[C@@H](CSC1CCC1)[C@](O)(Cc1nccc2oc(CCC3CC3)cc12)C(=O)O

Basic Information

ChEMBL ID CHEMBL5920027
Phase Preclinical
Structure Type MOL
InChI Key XHTWJZSTLSCSJM-PZJWPPBQSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

404.5
MW (Da)
3.14
ALogP
6
HBA
3
HBD
109.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
10
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 0.30

Activity Summary

IC50 2 meas. best 8.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucyl-cystinyl aminopeptidase
CHEMBL3712
IC50 8.24 8.24 5.7 1
Leucyl-cystinyl aminopeptidase
CHEMBL2693
IC50 8.1 8.1 8.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine