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Compound Detail

CHEMBL5796475

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CCSC[C@H](N)[C@](O)(Cc1cc(OC2CCC3(CC2)CC3)ccn1)C(=O)O

Basic Information

ChEMBL ID CHEMBL5796475
Phase Preclinical
Structure Type MOL
InChI Key PUELXDQYWRQWAN-FXAWDEMLSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
2.62
ALogP
6
HBA
3
HBD
105.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H30N2O4S
MW 394.54
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness 0.40

Activity Summary

IC50 4 meas. best 8.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucyl-cystinyl aminopeptidase
CHEMBL3712
IC50 8.82 8.82 1.5 2
Leucyl-cystinyl aminopeptidase
CHEMBL2693
IC50 8.38 8.38 4.2 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine