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Compound Detail

CHEMBL5947146

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CC(=O)C[C@@H]1COC(=O)N1C(=O)CCCCCc1cccc(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5947146
Phase Preclinical
Structure Type MOL
InChI Key UVXVGUBIVRQPIJ-QGZVFWFLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
3.42
ALogP
4
HBA
0
HBD
63.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25NO4
MW 331.41
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.03

Activity Summary

IC50 1 meas. best 6.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-acylethanolamine-hydrolyzing acid amidase
CHEMBL4349
 IC50 6.42 6.42 380.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-acylethanolamine-hydrolyzing acid amidase IC50 = 380.0 nM 6.42 Determining Endocannabinoid Hydrolase Activity: In the Experimental example, end... -

Data from ChEMBL 36 via Core Engine