General Information of Drug (ID: DME7OTF)

Drug Name
valerenic acid amide
Synonyms valerenic acid amide; VA-A; SCHEMBL402913; SCHEMBL402914; GTPL5470; CQHOIXZTIWRKEB-SUKRRCERSA-N; (E)-3-[(4S)-2,4,5,6,7,7aalpha-Hexahydro-3,7beta-dimethyl-1H-indene-4-yl]-2-methylpropeneamide
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
Chemical Identifiers
Formula
C15H23NO
Canonical SMILES
CC1CCC(C2=C(CCC12)C)C=C(C)C(=O)N
InChI
1S/C15H23NO/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H2,16,17)/b11-8+/t9-,12+,13-/m1/s1
InChIKey
CQHOIXZTIWRKEB-SUKRRCERSA-N
Cross-matching ID
PubChem CID
46835834
TTD ID
D08DET

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5470).