VALBENAZINE

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Synonyms
Status
Molecule Category Free-form
ATC N07XX13
UNII 54K37P50KH

Structure

InChI Key GEJDGVNQKABXKG-CFKGEZKQSA-N
Smiles COc1cc2c(cc1OC)[C@H]1C[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN1CC2
InChI
InChI=1S/C24H38N2O4/c1-14(2)9-17-13-26-8-7-16-10-21(28-5)22(29-6)11-18(16)19(26)12-20(17)30-24(27)23(25)15(3)4/h10-11,14-15,17,19-20,23H,7-9,12-13,25H2,1-6H3/t17-,19-,20-,23+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H38N2O4
Molecular Weight 418.58
AlogP 3.56
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 74.02
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
Synaptic vesicular amine transporter inhibitor INHIBITOR PubMed

Target Conservation

Protein: Synaptic vesicular amine transporter
Description: Synaptic vesicular amine transporter
Organism : Homo sapiens
Q05940 ENSG00000165646

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL2364639
DrugBank DB11915
DrugCentral 5227
FDA SRS 54K37P50KH
Guide to Pharmacology 8694
PubChem 24795069
SureChEMBL SCHEMBL15932979
ZINC ZINC000043195697
CONTENTS