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Compound Detail

CHEMBL1830336

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Cc1ccc(-c2cc(CCC(=O)Oc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nn2-c2ccc(Cl)nn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1830336
Phase Preclinical
Structure Type MOL
InChI Key TYHYLNGKXXFPGL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

579.0
MW (Da)
7.64
ALogP
7
HBA
0
HBD
79.1
PSA (Ų)
0.14
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H22ClF3N4O3
MW 578.98
Aromatic Rings 5
Heavy Atoms 41
NP-Likeness -1.30

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