VINPOCETINE

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N06BX18
UNII: 543512OBTC

Structure
InChI Key DDNCQMVWWZOMLN-IRLDBZIGSA-N
Smile 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
Hydrogen Bond Donor 0.0
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
Enzyme Phosphodiesterase Phosphodiesterase 1 Phosphodiesterase 1A
- 18840 - 14000 -
Enzyme Phosphodiesterase Phosphodiesterase 1 Phosphodiesterase 1B
- 19000 - 14000 -
Enzyme Phosphodiesterase Phosphodiesterase 1 Phosphodiesterase 1C
- - - 14000 -
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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Epilepsy 1 D004827 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 42971-09-5
ChEBI 32297
ChEMBL CHEMBL71752
DrugBank DB12131
DrugCentral 2828
EPA CompTox DTXSID5023740
FDA SRS 543512OBTC
Guide to Pharmacology 5285
PubChem 443955
SureChEMBL SCHEMBL50081
ZINC ZINC000019796031
CONTENTS