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Compound Detail

CHEMBL5866604

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N[C@@H](COCCC1CC1)[C@](O)(Cc1nccc2oc(CCC3CC3)cc12)C(=O)O

Basic Information

ChEMBL ID CHEMBL5866604
Phase Preclinical
Structure Type MOL
InChI Key SCYVVAMWTPFBJD-RBBKRZOGSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
2.67
ALogP
6
HBA
3
HBD
118.8
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 C22H30N2O5
MW 402.49
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.37

Activity Summary

IC50 2 meas. best 8.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucyl-cystinyl aminopeptidase
CHEMBL3712
IC50 8.59 8.59 2.6 1
Leucyl-cystinyl aminopeptidase
CHEMBL2693
IC50 8.1 8.1 7.9 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine