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Compound Detail

CHEMBL6020816

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CC(C)C[C@H](N)[C@](O)(Cc1cc(N2CCC(C)(C)CC2)ccn1)C(=O)O

Basic Information

ChEMBL ID CHEMBL6020816
Phase Preclinical
Structure Type MOL
InChI Key HZVZFTKBRUAQCA-FXAWDEMLSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

363.5
MW (Da)
2.44
ALogP
5
HBA
3
HBD
99.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H33N3O3
MW 363.50
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.01

Activity Summary

IC50 4 meas. best 9.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucyl-cystinyl aminopeptidase
CHEMBL2693
IC50 9.02 9.02 0.9 2
Leucyl-cystinyl aminopeptidase
CHEMBL3712
IC50 9.0 9.0 1.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine