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Compound Detail

CHEMBL599823

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CC(=O)Nc1ccc(OC(=O)CNC(=O)Cc2ccc(Nc3ccnc(C(F)(F)F)c3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL599823
Phase Preclinical
Structure Type MOL
InChI Key JGJLMMREHNNUJW-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

486.4
MW (Da)
4.07
ALogP
6
HBA
3
HBD
109.4
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21F3N4O4
MW 486.45
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.24

Activity Summary

IC50 2 meas. best 5.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
 IC50 5.59 5.585 2570.4 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 IC50 = 2570.4 nM 5.59 Inhibition of FAAH-mediated [3H]AEA hydrolysis in rat brain homogenate by liquid... 20143779
Fatty-acid amide hydrolase 1 IC50 = 2600.0 nM 5.58 Inhibition of FAAH-mediated [3H]AEA hydrolysis in rat brain homogenate by liquid... 20143779

Literature References

PubMed DOI Target Context # Activities
20143779 10.1021/jm901891p Fatty-acid amide hydrolase 1 3

Data from ChEMBL 36 via Core Engine