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Compound Detail

CHEMBL1370315

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CC(=O)NC(C)c1cc(F)c2cccnc2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1370315
Phase Preclinical
Structure Type MOL
InChI Key JUNGHNBYJUACCY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
2.28
ALogP
3
HBA
2
HBD
62.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13FN2O2
MW 248.26
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.02

Literature References

PubMed DOI Target Context # Activities
21739938 10.1021/jm2005089 Polyunsaturated fatty acid lipoxygenase ALOX12 1

Data from ChEMBL 36 via Core Engine