Details of the Drug

General Information of Drug (ID: DMS3CBD)

• Drug Name: geraniol
• Synonyms: GERANIOL; 106-24-1; Lemonol; Geranyl alcohol; trans-Geraniol; (E)-Geraniol; (2E)-3,7-dimethylocta-2,6-dien-1-ol; (E)-Nerol; trans-3,7-Dimethyl-2,6-octadien-1-ol; (E)-3,7-Dimethylocta-2,6-dien-1-ol; Geraniol Extra; Geraniol alcohol; 3,7-Dimethyl-2,6-octadien-1-ol; (E)-3,7-Dimethyl-2,6-octadien-1-ol; beta-Geraniol; 3,7-Dimethyl-trans-2,6-octadien-1-ol; 2,6-Octadien-1-ol, 3,7-dimethyl-, (2E)-; Guaniol; t-geraniol; 2E-geraniol; Geraniol (natural); 2-trans-3,7-Dimethyl-2,6-octadien-1-ol; 2,6-Octadien-1-ol, 3,7-dimethyl-; CHEBI:17447

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 154.25
  Topological Polar Surface Area (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• ADMET Property:
  Absorption Cmax: The maximum plasma concentration (Cmax) of drug is 270 mg/L [2]
  Absorption Tmax: The time to maximum plasma concentration (Tmax) is 30 min [2]
  Bioavailability: The bioavailability of drug is 92% [2]
  Half-life: The concentration or amount of drug in body reduced by one-half in 12 minutes [2]
• Chemical Identifiers:
  Formula: C10H18O
  IUPAC Name: (2E)-3,7-dimethylocta-2,6-dien-1-ol
  Canonical SMILES: CC(=CCC/C(=C/CO)/C)C
  InChI: InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+
  InChIKey: GLZPCOQZEFWAFX-JXMROGBWSA-N
• Cross-matching ID:
  PubChem CID: 637566
  ChEBI ID: CHEBI:17447
  CAS Number: 106-24-1
  DrugBank ID: DB14183
  TTD ID: D0Q4GB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Long transient receptor potential channel 8 (TRPM8)	TTXDKTO	TRPM8_HUMAN	Activator	[3]

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: 2467).
• [2] Geraniol Pharmacokinetics, Bioavailability and Its Multiple Effects on the Liver Antioxidant and Xenobiotic-Metabolizing Enzymes. Front Pharmacol. 2018 Jan 25;9:18. doi: 10.3389/fphar.2018.00018. eCollection 2018.
• [3] Characterization of the mouse cold-menthol receptor TRPM8 and vanilloid receptor type-1 VR1 using a fluorometric imaging plate reader (FLIPR) assay. Br J Pharmacol. 2004 Feb;141(4):737-45.
• [4] TRPV1-mediated itch in seasonal allergic rhinitis. Allergy. 2009 May;64(5):807-10.
• [5] Best of the 2009 AUA Annual Meeting: Highlights from the 2009 Annual Meeting of the American Urological Association, April 25-30, 2009, Chicago, IL. Rev Urol. 2009 Spring; 11(2): 82-107.
• [6] Inhibition of TRPM8 channels reduces pain in the cold pressor test in humans. J Pharmacol Exp Ther. 2014 Nov;351(2):259-69.
• [7] Effects of antagonists and heat on TRPM8 channel currents in dorsal root ganglion neuron activated by nociceptive cold stress and menthol. Neurochem Res. 2012 Feb;37(2):314-20.
• [8] 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. (Target id: 500).
• [9] 5-benzyloxytryptamine as an antagonist of TRPM8. Bioorg Med Chem Lett. 2010 Dec 1;20(23):7076-9.
• [10] Evolution of thermal response properties in a cold-activated TRP channel. PLoS One. 2009 May 29;4(5):e5741.