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Compound Detail

CHEMBL5927569

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CCC(Cl)CCc1cc2c(C[C@](O)(C(=O)O)[C@@H](N)CSC)nccc2o1

Basic Information

ChEMBL ID CHEMBL5927569
Phase Preclinical
Structure Type MOL
InChI Key GZQMDHKJVNSRQP-ULHBIWDBSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.9
MW (Da)
2.83
ALogP
6
HBA
3
HBD
109.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H25ClN2O4S
MW 400.93
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.25

Activity Summary

IC50 2 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucyl-cystinyl aminopeptidase
CHEMBL2693
IC50 8.15 8.15 7.0 1
Leucyl-cystinyl aminopeptidase
CHEMBL3712
IC50 8.08 8.08 8.4 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine