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Compound Detail

CHEMBL5791361

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Cc1cnc(C[C@](O)(C(=O)O)[C@@H](N)CC(C)C)cc1CCCCC1CC1

Basic Information

ChEMBL ID CHEMBL5791361
Phase Preclinical
Structure Type MOL
InChI Key VEFIQEVOIVODNL-PZJWPPBQSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

362.5
MW (Da)
3.24
ALogP
4
HBA
3
HBD
96.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H34N2O3
MW 362.51
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 0.43

Activity Summary

IC50 2 meas. best 8.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucyl-cystinyl aminopeptidase
CHEMBL3712
IC50 8.82 8.82 1.5 1
Leucyl-cystinyl aminopeptidase
CHEMBL2693
IC50 8.66 8.66 2.2 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine