VINPOCETINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC N06BX18
UNII 543512OBTC
EPA CompTox DTXSID5023740

Structure

InChI Key DDNCQMVWWZOMLN-IRLDBZIGSA-N
Smiles CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32
InChI
InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H26N2O2
Molecular Weight 350.46
AlogP 4.15
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 34.47
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 12.34-29.06
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 39 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 109.43-167.68
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 109.43-167.68
Electrophorus electricus
- - - - 12.34
Equus caballus
- - - - 29.06
Homo sapiens
- 39 - - -
Mus musculus
- - - - 0-100

Cross References

Resources Reference
ChEBI 32297
ChEMBL CHEMBL71752
DrugBank DB12131
DrugCentral 2828
FDA SRS 543512OBTC
Guide to Pharmacology 5285
PubChem 443955
SureChEMBL SCHEMBL50081
ZINC ZINC000019796031
CONTENTS