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Compound Detail

CHEMBL6013513

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Cc1cnc(C[C@](O)(C(=O)O)[C@@H](N)CC(C)C)cc1OCCC(C)(C)C

Basic Information

ChEMBL ID CHEMBL6013513
Phase Preclinical
Structure Type MOL
InChI Key DIXUCSKTBNMGTR-FXAWDEMLSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
2.94
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 C20H34N2O4
MW 366.50
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 0.07

Activity Summary

IC50 4 meas. best 9.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucyl-cystinyl aminopeptidase
CHEMBL3712
IC50 9.11 9.11 0.8 2
Leucyl-cystinyl aminopeptidase
CHEMBL2693
IC50 9.03 9.03 0.9 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine