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Compound Detail

CHEMBL2333043

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CCCCCCNC(=O)n1cc(C#N)c(=O)[nH]c1=O

Basic Information

ChEMBL ID CHEMBL2333043
Phase Preclinical
Structure Type MOL
InChI Key HXOGFPFEQNRKFH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

264.3
MW (Da)
0.55
ALogP
5
HBA
2
HBD
107.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H16N4O3
MW 264.28
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.08

Activity Summary

IC50 1 meas. best 7.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
IC50 7.6 7.6 25.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23614460 10.1021/jm301879g No relevant target 1
23614460 10.1021/jm301879g Acid ceramidase 1
31945644 10.1016/j.ejmech.2019.111953 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine