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Compound Detail

CHEMBL6006000

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COc1cc(C[C@](O)(C(=O)O)[C@@H](N)CC(C)C)ncc1Cc1ccccc1

Basic Information

ChEMBL ID CHEMBL6006000
Phase Preclinical
Structure Type MOL
InChI Key OGNBMJWNGZPAPG-PZJWPPBQSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

372.5
MW (Da)
2.41
ALogP
5
HBA
3
HBD
105.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28N2O4
MW 372.47
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.26

Activity Summary

IC50 4 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucyl-cystinyl aminopeptidase
CHEMBL2693
IC50 8.4 8.4 4.0 2
Leucyl-cystinyl aminopeptidase
CHEMBL3712
IC50 8.06 8.06 8.8 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine