Structure

InChI Key VVECGOCJFKTUAX-HUYCHCPVSA-N
Smiles CNc1ccc(-c2nc3ccc(O)cc3s2)cc1[18F]
InChI
InChI=1S/C14H11FN2OS/c1-16-11-4-2-8(6-10(11)15)14-17-12-5-3-9(18)7-13(12)19-14/h2-7,16,18H,1H3/i15-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H11FN2OS
Molecular Weight 273.32
AlogP 3.85
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 45.15
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 19.0

Pharmacology

Mechanism of Action Action Reference
Diagnostic agent None DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor
- - - 0.7-0.74 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 0.7-0.74 -

Related Entries

Cross References

Resources Reference
ChEBI 76611
ChEMBL CHEMBL2042122
DrugBank DB09151
DrugCentral 4301
FDA SRS L49M066S0O
Guide to Pharmacology 7342
SureChEMBL SCHEMBL10032147
ZINC ZINC000100096928