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Compound Detail

CHEMBL1830462

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O=C(CCc1cc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(Cl)nn2)n1)Oc1ccc(-n2cccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1830462
Phase Preclinical
Structure Type MOL
InChI Key MYJNYFIOGFHKGE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

537.9
MW (Da)
6.33
ALogP
7
HBA
0
HBD
74.8
PSA (Ų)
0.18
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H19ClF3N5O2
MW 537.93
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -1.70

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