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Compound Detail

CHEMBL5795510

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CCCSC[C@H](N)[C@](O)(Cc1nccc2c1C[C@@H](CCC1CC1)C2)C(=O)O

Basic Information

ChEMBL ID CHEMBL5795510
Phase Preclinical
Structure Type MOL
InChI Key UYCLPRDWKVGCFT-PAXLWEDBSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

392.6
MW (Da)
2.82
ALogP
5
HBA
3
HBD
96.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H32N2O3S
MW 392.57
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness 0.52

Activity Summary

IC50 2 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucyl-cystinyl aminopeptidase
CHEMBL3712
IC50 8.15 8.15 7.1 1
Leucyl-cystinyl aminopeptidase
CHEMBL2693
IC50 7.47 7.47 34.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine