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Compound Detail

CHEMBL5917343

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

Basic Information

ChEMBL ID CHEMBL5917343
Phase Preclinical
Structure Type MOL
InChI Key GTBZNNHYIZEBEO-PKOBYXMFSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

378.5
MW (Da)
2.31
ALogP
7
HBA
2
HBD
98.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H26N2O4S
MW 378.49
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.26

Activity Summary

IC50 2 meas. best 7.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucyl-cystinyl aminopeptidase
CHEMBL3712
IC50 7.23 7.23 59.0 1
Leucyl-cystinyl aminopeptidase
CHEMBL2693
IC50 7.05 7.05 89.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine