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Compound Detail

CHEMBL264163

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Nc1ccccc1C(=O)Nc1ccccc1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL264163
Phase Preclinical
Structure Type MOL
InChI Key UQJDYJYKZGUQLG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

280.2
MW (Da)
3.54
ALogP
2
HBA
2
HBD
55.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11F3N2O
MW 280.25
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.49

Literature References

PubMed DOI Target Context # Activities
18363350 10.1021/jm701191z Prostaglandin G/H synthase 1 2
18363350 10.1021/jm701191z Prostaglandin G/H synthase 2 2

Data from ChEMBL 36 via Core Engine