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Compound Detail

CHEMBL1830458

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NC(=O)C1CCN(C(=O)CCc2cc(-c3ccc(C(F)(F)F)cc3)n(-c3ccc(Cl)nn3)n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1830458
Phase Preclinical
Structure Type MOL
InChI Key FNOGMDGUHNJMMP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

506.9
MW (Da)
3.66
ALogP
6
HBA
1
HBD
107.0
PSA (Ų)
0.55
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 C23H22ClF3N6O2
MW 506.92
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.84

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