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Compound Detail

CHEMBL5745567

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

Basic Information

ChEMBL ID CHEMBL5745567
Phase Preclinical
Structure Type MOL
InChI Key RHLATVJBPQNNIW-PKOBYXMFSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

378.5
MW (Da)
2.61
ALogP
6
HBA
3
HBD
109.6
PSA (Ų)
0.58
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 0.22

Activity Summary

IC50 2 meas. best 8.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucyl-cystinyl aminopeptidase
CHEMBL3712
IC50 8.57 8.57 2.7 1
Leucyl-cystinyl aminopeptidase
CHEMBL2693
IC50 8.48 8.48 3.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine