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Compound Detail

CHEMBL5952906

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CC(C)C[C@H](N)[C@](O)(Cc1cc(OCc2cccc3ccccc23)ccn1)C(=O)O

Basic Information

ChEMBL ID CHEMBL5952906
Phase Preclinical
Structure Type MOL
InChI Key DOGKLASCBAPMEO-LADGPHEKSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
3.55
ALogP
5
HBA
3
HBD
105.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28N2O4
MW 408.50
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.24

Activity Summary

IC50 4 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 2
Leucyl-cystinyl aminopeptidase
CHEMBL2693
IC50 8.51 8.51 3.1 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine