fasedienol

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Ligands
fasedienol

GtoPdb Ligand ID: 14431

Synonyms: 4-androstadienol | [3β]-androsta-4,16-dien-3-ol | aloradine | PH-94B | PH94B

Compound class: Synthetic organic

Comment: Fasedienol (PH94B; VistaGen Therapeutics, formerly Pherin Pharmaceuticals) is a pherine, or vomeropherin [4]. Pherines are synthetic neuroactive steroids that are intended to acts as human pheromones via interactions with receptors on nasal chemosensory neurons within the vomeronasal organ (VNO). They are proposed to alter central nervous system activity (e.g., within the limbic amygdala and hypothalamus) through the olfactory system, and without crossing the blood-brain barrier, in turn inducing physiological, pharmacological and behavioural changes. Note that whilst intranasal administration of fasedienol in human subjects is reported to elicit biological and physiological responses [2-3], the functional capacity of vomeronasal receptors and the VNO in humans is open to debate [1,5-7].

fasedienol is commercially available from our sponsors

2D Structure

Physico-chemical Properties

Hydrogen bond acceptors	1
Hydrogen bond donors	1
Rotatable bonds	0
Topological polar surface area	20.23
Molecular weight	272.43
XLogP	5.7
No. Lipinski's rules broken	1

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

SMILES / InChI / InChIKey

Canonical SMILES	C[C@]12C=CC[C@H]2[C@@H]3CCC4=C[C@H](CC[C@]4(C)[C@H]3CC1)O
Isomeric SMILES	C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CCC4=C[C@H](CC[C@]34C)O
InChI	InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,12,14-17,20H,4-8,10-11H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
InChI Key	NYVFCEPOUVGTNP-DYKIIFRCSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)