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Compound Detail

CHEMBL5889833

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CC(C)C[C@H](N)[C@](O)(Cc1cc(OCCc2ccsc2)ccn1)C(=O)O

Basic Information

ChEMBL ID CHEMBL5889833
Phase Preclinical
Structure Type MOL
InChI Key GXDKHUZXXWSXQZ-PKOBYXMFSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

378.5
MW (Da)
2.50
ALogP
6
HBA
3
HBD
105.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
10
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 -0.72

Activity Summary

IC50 4 meas. best 8.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucyl-cystinyl aminopeptidase
CHEMBL2693
IC50 8.82 8.82 1.5 2
Leucyl-cystinyl aminopeptidase
CHEMBL3712
IC50 8.82 8.82 1.5 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine