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Compound Detail

CHEMBL149448

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CC(C)(C)c1cc(/C=C/c2cc(C(F)(F)F)no2)cc(C(C)(C)C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL149448
Phase Preclinical
Structure Type MOL
InChI Key DCHZZAGSYLWIDD-BQYQJAHWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
6.16
ALogP
3
HBA
1
HBD
46.3
PSA (Ų)
0.69
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24F3NO2
MW 367.41
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.29

Literature References

PubMed DOI Target Context # Activities
1847426 10.1021/jm00106a006 Cyclooxygenase 1
1847426 10.1021/jm00106a006 Polyunsaturated fatty acid 5-lipoxygenase 1

Data from ChEMBL 36 via Core Engine