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Compound Detail

CHEMBL5829765

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Cc1cnc(C[C@](O)(C(=O)O)[C@@H](N)CC(C)C)c(C)c1OCCc1ccccc1

Basic Information

ChEMBL ID CHEMBL5829765
Phase Preclinical
Structure Type MOL
InChI Key UORGUVONLPMTFZ-NZQKXSOJSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
3.05
ALogP
5
HBA
3
HBD
105.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H32N2O4
MW 400.52
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.01

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 7.92 7.92 12.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine