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Compound Detail

CHEMBL5830549

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O=C(CCCCCc1c[nH]c2ccccc12)N1CCOC1=O

Basic Information

ChEMBL ID CHEMBL5830549
Phase Preclinical
Structure Type MOL
InChI Key ACYVSIPAZDSDBM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
3.25
ALogP
3
HBA
1
HBD
62.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N2O3
MW 300.36
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.52

Activity Summary

IC50 1 meas. best 4.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-acylethanolamine-hydrolyzing acid amidase
CHEMBL4349
IC50 4.63 4.63 23500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine