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Compound Detail

CHEMBL4513580

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Cc1onc(-c2ccc([N+](=O)[O-])cc2)c1-c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4513580
Phase Preclinical
Structure Type MOL
InChI Key GBIKJGZDULQWSH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
4.36
ALogP
4
HBA
0
HBD
69.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11FN2O3
MW 298.27
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.57

Literature References

PubMed DOI Target Context # Activities
30590258 10.1016/j.ejmech.2018.12.029 Prostaglandin G/H synthase 1 1
30590258 10.1016/j.ejmech.2018.12.029 Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine