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Compound Detail

CHEMBL5847848

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CC(C)C[C@H](N)[C@](O)(Cc1cc(N2CCCCC2)ccn1)C(=O)O

Basic Information

ChEMBL ID CHEMBL5847848
Phase Preclinical
Structure Type MOL
InChI Key XXJFHNAROYHMDH-FUHWJXTLSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
1.80
ALogP
5
HBA
3
HBD
99.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H29N3O3
MW 335.45
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.32

Activity Summary

IC50 4 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucyl-cystinyl aminopeptidase
CHEMBL2693
IC50 9.0 9.0 1.0 2
Leucyl-cystinyl aminopeptidase
CHEMBL3712
IC50 8.89 8.89 1.3 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine