Ligand id: 4150

Name: cannabidiol

Abbreviated name: CBD

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 40.46
Molecular weight 314.22
XLogP 6.34
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Bisogno T, Hanus L, De Petrocellis L, Tchilibon S, Ponde DE, Brandi I, Moriello AS, Davis JB, Mechoulam R, Di Marzo V. (2001)
Molecular targets for cannabidiol and its synthetic analogues: effect on vanilloid VR1 receptors and on the cellular uptake and enzymatic hydrolysis of anandamide.
Br. J. Pharmacol., 134 (4): 845-52. [PMID:11606325]
2. De Petrocellis L, Orlando P, Moriello AS, Aviello G, Stott C, Izzo AA, Di Marzo V. (2012)
Cannabinoid actions at TRPV channels: effects on TRPV3 and TRPV4 and their potential relevance to gastrointestinal inflammation.
Acta Physiol (Oxf), 204 (2): 255-66. [PMID:21726418]
3. Laprairie RB, Bagher AM, Kelly ME, Denovan-Wright EM. (2015)
Cannabidiol is a negative allosteric modulator of the cannabinoid CB1 receptor.
Br. J. Pharmacol., 172 (20): 4790-805. [PMID:26218440]
4. McHugh D, Page J, Dunn E, Bradshaw HB. (2012)
Δ(9) -Tetrahydrocannabinol and N-arachidonyl glycine are full agonists at GPR18 receptors and induce migration in human endometrial HEC-1B cells.
Br. J. Pharmacol., 165 (8): 2414-24. [PMID:21595653]
5. Pertwee RG, Howlett AC, Abood ME, Alexander SP, Di Marzo V, Elphick MR, Greasley PJ, Hansen HS, Kunos G, Mackie K et al.. (2010)
International Union of Basic and Clinical Pharmacology. LXXIX. Cannabinoid receptors and their ligands: beyond CB₁ and CB₂.
Pharmacol. Rev., 62 (4): 588-631. [PMID:21079038]
6. Qin N, Neeper MP, Liu Y, Hutchinson TL, Lubin ML, Flores CM. (2008)
TRPV2 is activated by cannabidiol and mediates CGRP release in cultured rat dorsal root ganglion neurons.
J. Neurosci., 28 (24): 6231-8. [PMID:18550765]
7. Ryberg E, Larsson N, Sjögren S, Hjorth S, Hermansson NO, Leonova J, Elebring T, Nilsson K, Drmota T, Greasley PJ. (2007)
The orphan receptor GPR55 is a novel cannabinoid receptor.
Br J Pharmacol, 152: 1092-1101. [PMID:17876302]