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Compound Detail

CHEMBL5567186

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CC(C)(C)c1ccc(NC(=O)C2(NC(=O)Oc3ccccc3)CCCCC2)cc1

Basic Information

ChEMBL ID CHEMBL5567186
Phase Preclinical
Structure Type MOL
InChI Key DLNJTNZPQFEVIC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
5.41
ALogP
3
HBA
2
HBD
67.4
PSA (Ų)
0.73
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30N2O3
MW 394.52
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.06

Activity Summary

IC50 1 meas. best 5.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 5.27 5.27 5420.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 IC50 = 5420.0 nM 5.27 Inhibition of human FAAH by fluorescence-based cayman assay 38325006

Literature References

PubMed DOI Target Context # Activities
38325006 10.1016/j.ejmech.2024.116208 Transient receptor potential cation channel subfamily V member 1 1
38325006 10.1016/j.ejmech.2024.116208 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine