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Compound Detail

CHEMBL6034122

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

Basic Information

ChEMBL ID CHEMBL6034122
Phase Preclinical
Structure Type MOL
InChI Key QALWIYQOOVPIMX-ULHBIWDBSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
1.58
ALogP
7
HBA
4
HBD
129.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H26N2O5S
MW 382.48
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.52

Activity Summary

IC50 2 meas. best 7.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucyl-cystinyl aminopeptidase
CHEMBL2693
IC50 7.46 7.46 35.0 1
Leucyl-cystinyl aminopeptidase
CHEMBL3712
IC50 7.24 7.24 58.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine