PF-06840003

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5K1FUI0T2C

Structure
InChI Key MXKLDYKORJEOPR-UHFFFAOYSA-N
Smile O=C1CC(c2c[nH]c3ccc(F)cc23)C(=O)N1
InChI
InChI=1S/C12H9FN2O2/c13-6-1-2-10-7(3-6)9(5-14-10)8-4-11(16)15-12(8)17/h1-3,5,8,14H,4H2,(H,15,16,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H9FN2O2
Molecular Weight 232.21
AlogP 1.44
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 61.96
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19
- 78000 - - -
Enzyme Oxidoreductase
- 70-4700 320-22300 - -
Transporter Primary active transporter ATP-binding cassette ABCG subfamily
- 65400 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Astrocytoma 1 D001254 ClinicalTrials
Oligodendroglioma 1 D009837 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4086143
EPA CompTox DTXSID00630149
FDA SRS 5K1FUI0T2C
Guide to Pharmacology 9565
PubChem 23063810
SureChEMBL SCHEMBL5463464
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