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Compound Detail

CHEMBL5893574

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O=C(CCCCCc1ccc(O)c(O)c1)N1CCOC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5893574
Phase Preclinical
Structure Type MOL
InChI Key UMYOJUZMPYLLHN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

293.3
MW (Da)
2.18
ALogP
5
HBA
2
HBD
87.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19NO5
MW 293.32
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.02

Activity Summary

IC50 1 meas. best 7.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-acylethanolamine-hydrolyzing acid amidase
CHEMBL4349
 IC50 7.57 7.57 27.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-acylethanolamine-hydrolyzing acid amidase IC50 = 27.0 nM 7.57 Determining Endocannabinoid Hydrolase Activity: In the Experimental example, end... -

Data from ChEMBL 36 via Core Engine