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Compound Detail

CHEMBL5929981

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CC(C)C[C@H](N)[C@](O)(Cc1cc(OC2C3CC4CC(C3)CC2C4)ccn1)C(=O)O

Basic Information

ChEMBL ID CHEMBL5929981
Phase Preclinical
Structure Type MOL
InChI Key VTMDTAZZLBMZDQ-LILSEVQFSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
3.02
ALogP
5
HBA
3
HBD
105.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H34N2O4
MW 402.54
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 0.29

Activity Summary

IC50 4 meas. best 8.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucyl-cystinyl aminopeptidase
CHEMBL3712
IC50 8.72 8.72 1.9 2
Leucyl-cystinyl aminopeptidase
CHEMBL2693
IC50 8.55 8.55 2.8 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine