VALBENAZINE

Search structure
Synonyms:
Status: Approved (2017)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N07XX13
UNII: 54K37P50KH

Structure
InChI Key GEJDGVNQKABXKG-CFKGEZKQSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Synaptic vesicular amine transporter inhibitor PubMed
Primary Target
Vesicular monoamine transporter 2

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Movement Disorders 3 D009069 ClinicalTrials
Huntington Disease 3 D006816 ClinicalTrials
Tourette Syndrome 2 D005879 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 1025504-45-3
ChEMBL CHEMBL2364639
DrugBank DB11915
DrugCentral 5227
FDA SRS 54K37P50KH
Guide to Pharmacology 8694
PubChem 24795069
SureChEMBL SCHEMBL15932979
ZINC ZINC000043195697
CONTENTS