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Compound Detail

CHEMBL1830475

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COc1ccc(-n2nc(CCC(=O)N3CCN(Cc4ccc(C(C)(C)C)cc4)CC3)cc2-c2ccc(F)cc2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1830475
Phase Preclinical
Structure Type MOL
InChI Key CACFKPKYDGBCAP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

556.7
MW (Da)
5.05
ALogP
7
HBA
0
HBD
76.4
PSA (Ų)
0.30
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 C32H37FN6O2
MW 556.69
Aromatic Rings 4
Heavy Atoms 41
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