VANOXERINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 90X28IKH43

Structure
InChI Key NAUWTFJOPJWYOT-UHFFFAOYSA-N
Smile Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1
InChI
InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H32F2N2O
Molecular Weight 450.57
AlogP 5.32
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 10.0
Polar Surface Area 15.71
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 320 - - -
Membrane receptor
- 1-43 - 116 -
Other membrane protein
- - - 51 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 0-73 - 0-18 -6-2

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Atrial Fibrillation 3 D001281 ClinicalTrials
Atrial Flutter 2 D001282 ClinicalTrials
Cocaine-Related Disorders 1 D019970 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 67469-69-6
ChEBI 64089
ChEMBL CHEMBL281594
DrugBank DB03701
EPA CompTox DTXSID8045143
FDA SRS 90X28IKH43
Guide to Pharmacology 9983
PubChem 3455
SureChEMBL SCHEMBL246574
ZINC ZINC000022034135
CONTENTS