ATAGABALIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: JT7957Q2FB

Structure
InChI Key IUVMAUQEZFTTFB-YUMQZZPRSA-N
Smile C[C@H]1CC(CN)(CC(=O)O)C[C@@H]1C
InChI
InChI=1S/C10H19NO2/c1-7-3-10(6-11,4-8(7)2)5-9(12)13/h7-8H,3-6,11H2,1-2H3,(H,12,13)/t7-,8-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H19NO2
Molecular Weight 185.27
AlogP 1.47
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 63.32
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 13.0

Pharmacology

Action Mechanism of Action Reference
MODULATOR Voltage-gated calcium channel modulator PubMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Auxiliary transport protein Calcium channel auxiliary subunit alpha2delta family
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Indications

Mesh Heading Maximum Phase Mesh ID Reference
Sleep Initiation and Maintenance Disorders 2 D007319 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL593430
DrugBank DB12032
FDA SRS JT7957Q2FB
PubChem 9794485
SureChEMBL SCHEMBL121610
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