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Compound Detail

CHEMBL8099

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COc1nn(Cc2ccccc2)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL8099
Phase Preclinical
Structure Type MOL
InChI Key WKRXNLHIWBMTPM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

238.3
MW (Da)
3.09
ALogP
3
HBA
0
HBD
27.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14N2O
MW 238.29
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.15

Literature References

PubMed DOI Target Context # Activities
1848292 10.1021/jm00107a023 Polyunsaturated fatty acid 5-lipoxygenase 1

Data from ChEMBL 36 via Core Engine