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Compound Detail

CHEMBL3769597

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CC(C)(C)c1ccc(COC(=O)N[C@H]2CNC2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3769597
Phase Preclinical
Structure Type MOL
InChI Key IEGGCMOPFGNIDU-LBPRGKRZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
1.71
ALogP
3
HBA
2
HBD
67.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20N2O3
MW 276.34
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.38

Activity Summary

IC50 1 meas. best 6.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-acylethanolamine-hydrolyzing acid amidase
CHEMBL4349
 IC50 6.51 6.51 310.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-acylethanolamine-hydrolyzing acid amidase IC50 = 310.0 nM 6.51 Inhibition of human NAAA expressed in HEK293 cells preincubated for 10 mins foll... 26866968

Literature References

PubMed DOI Target Context # Activities
26866968 10.1016/j.ejmech.2016.01.046 N-acylethanolamine-hydrolyzing acid amidase 1

Data from ChEMBL 36 via Core Engine