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Compound Detail

CHEMBL5910023

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CC(C)C[C@H](N)[C@](O)(Cc1cc(SC2CCCCCC2)ccn1)C(=O)O

Basic Information

ChEMBL ID CHEMBL5910023
Phase Preclinical
Structure Type MOL
InChI Key WVBIVWXUSOUBMN-AZUAARDMSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

380.6
MW (Da)
3.63
ALogP
5
HBA
3
HBD
96.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H32N2O3S
MW 380.55
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.15

Activity Summary

IC50 4 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucyl-cystinyl aminopeptidase
CHEMBL3712
IC50 8.8 8.8 1.6 2
Leucyl-cystinyl aminopeptidase
CHEMBL2693
IC50 7.89 7.89 13.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine