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Compound Detail

CHEMBL5873538

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CC(C)C[C@H](N)[C@](O)(Cc1cc(OCCCC2CC2)ccn1)C(=O)O

Basic Information

ChEMBL ID CHEMBL5873538
Phase Preclinical
Structure Type MOL
InChI Key VKGHVYMUDROMIU-PKOBYXMFSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

350.5
MW (Da)
2.38
ALogP
5
HBA
3
HBD
105.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H30N2O4
MW 350.46
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 0.17

Activity Summary

IC50 4 meas. best 8.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucyl-cystinyl aminopeptidase
CHEMBL3712
IC50 8.66 8.66 2.2 2
Leucyl-cystinyl aminopeptidase
CHEMBL2693
IC50 8.39 8.39 4.1 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine