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Compound Detail

CHEMBL5837864

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CCCC[C@@H](C)Oc1ccnc(C[C@](O)(C(=O)O)[C@@H](N)CC(C)C)c1

Basic Information

ChEMBL ID CHEMBL5837864
Phase Preclinical
Structure Type MOL
InChI Key UIPCDSDRYJTFJX-DKSSEZFCSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

352.5
MW (Da)
2.77
ALogP
5
HBA
3
HBD
105.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H32N2O4
MW 352.48
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 0.10

Activity Summary

IC50 4 meas. best 8.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucyl-cystinyl aminopeptidase
CHEMBL3712
IC50 8.72 8.72 1.9 2
Leucyl-cystinyl aminopeptidase
CHEMBL2693
IC50 8.68 8.68 2.1 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine