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Compound Detail

CHEMBL5900568

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CC(C)C[C@H](N)[C@](O)(Cc1cc(O[C@H](C)Cc2ccccc2)ccn1)C(=O)O

Basic Information

ChEMBL ID CHEMBL5900568
Phase Preclinical
Structure Type MOL
InChI Key GRMPLDQBIYPHFR-QGCDCVKKSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
2.82
ALogP
5
HBA
3
HBD
105.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H30N2O4
MW 386.49
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.05

Activity Summary

IC50 4 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucyl-cystinyl aminopeptidase
CHEMBL3712
IC50 8.96 8.96 1.1 2
Leucyl-cystinyl aminopeptidase
CHEMBL2693
IC50 8.92 8.92 1.2 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine