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Compound Detail

CHEMBL1830460

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O=C(CCc1cc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(Cl)nn2)n1)N1CCN(C(=O)c2ccco2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1830460
Phase Preclinical
Structure Type MOL
InChI Key SVRVXCGGIUWYAY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

559.0
MW (Da)
4.51
ALogP
7
HBA
0
HBD
97.4
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H22ClF3N6O3
MW 558.95
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.81

Literature References

PubMed DOI Target Context # Activities
21868137 10.1016/j.ejmech.2011.08.009 Polyunsaturated fatty acid 5-lipoxygenase 3

Data from ChEMBL 36 via Core Engine