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Compound Detail

CHEMBL4752215

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CC(=O)Oc1cn(C(=O)NCCCCc2ccc(-c3ccccc3)cc2)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4752215
Phase Preclinical
Structure Type MOL
InChI Key OALICXLQJVIBIS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

421.4
MW (Da)
2.71
ALogP
6
HBA
2
HBD
110.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N3O5
MW 421.45
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.38

Activity Summary

IC50 1 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
 IC50 9.1 9.1 0.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 IC50 = 0.8 nM 9.1 Inhibition of rat FAAH using [3H]-AEA as substrate by liquid chromatography-mass... 31945644

Literature References

PubMed DOI Target Context # Activities
31945644 10.1016/j.ejmech.2019.111953 Fatty-acid amide hydrolase 1 1
31945644 10.1016/j.ejmech.2019.111953 Unchecked 1

Data from ChEMBL 36 via Core Engine