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Compound Detail

CHEMBL6038937

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N[C@@H](CCC1CCC1)[C@](O)(Cc1nccc2oc(CCC3CC3)cc12)C(=O)O

Basic Information

ChEMBL ID CHEMBL6038937
Phase Preclinical
Structure Type MOL
InChI Key MELWPQSYYFUIMX-RBBKRZOGSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
3.44
ALogP
5
HBA
3
HBD
109.6
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 0.49

Activity Summary

IC50 2 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucyl-cystinyl aminopeptidase
CHEMBL3712
IC50 9.1 9.1 0.8 1
Leucyl-cystinyl aminopeptidase
CHEMBL2693
IC50 8.41 8.41 3.9 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine