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Compound Detail

CHEMBL5901071

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COCCCCC[C@H](N)[C@](O)(Cc1cc(OC2CCCCC2)ccn1)C(=O)O

Basic Information

ChEMBL ID CHEMBL5901071
Phase Preclinical
Structure Type MOL
InChI Key MVJZBSYUMZCQTK-PZJWPPBQSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
2.69
ALogP
6
HBA
3
HBD
114.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H34N2O5
MW 394.51
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 0.30

Activity Summary

IC50 4 meas. best 8.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucyl-cystinyl aminopeptidase
CHEMBL3712
IC50 8.92 8.92 1.2 2
Leucyl-cystinyl aminopeptidase
CHEMBL2693
IC50 8.64 8.64 2.3 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine