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Compound Detail

CHEMBL5875249

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CC(C)C[C@H](N)[C@](O)(Cc1cc(OC2CC3CCC2C3)ccn1)C(=O)O

Basic Information

ChEMBL ID CHEMBL5875249
Phase Preclinical
Structure Type MOL
InChI Key IJZMAUGVQAHPHH-XSCIWRGYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

362.5
MW (Da)
2.38
ALogP
5
HBA
3
HBD
105.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H30N2O4
MW 362.47
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 0.47

Activity Summary

IC50 4 meas. best 8.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucyl-cystinyl aminopeptidase
CHEMBL2693
IC50 8.82 8.82 1.5 2
Leucyl-cystinyl aminopeptidase
CHEMBL3712
IC50 8.7 8.7 2.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine