IOFLUPANE

Search structure
Synonyms:
Status: Approved (2011)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: VF232WE742

Structure
InChI Key HXWLAJVUJSVENX-MYBQVCMBSA-N
Smile COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2CCCF
InChI
InChI=1S/C18H23FINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3/t14?,15-,16?,17+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H23FINO2
Molecular Weight 431.29
AlogP 3.76
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 29.54
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 23.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
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Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1945778
FDA SRS VF232WE742
PubChem 10048368
SureChEMBL SCHEMBL16589355
ZINC ZINC000003972949
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