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Compound Detail

CHEMBL1830340

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COc1ccc(NC(=O)CCc2cc(-c3ccc(F)cc3)n(-c3ccc(Cl)nn3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1830340
Phase Preclinical
Structure Type MOL
InChI Key ZCSWXQWTOXQUHU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

451.9
MW (Da)
4.70
ALogP
6
HBA
1
HBD
81.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19ClFN5O2
MW 451.89
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.91

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