Drug General Information
Drug ID
D00VZZ
Former ID
DNC012876
Drug Name
ALLOPREGNANOLONE
Drug Type
Small molecular drug
Indication Discovery agent Phase 2 [467451], [524035]
Structure
Download
2D MOL

3D MOL

Formula
C21H34O2
InChI
InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1
InChIKey
AURFZBICLPNKBZ-SYBPFIFISA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Gamma-aminobutyric acid receptor subunit beta-2 Target Info Inhibitor [527511]
Gamma-aminobutyric acid receptor Target Info Inhibitor [528321]
Gamma-aminobutyric acid receptor subunit gamma-2 Target Info Inhibitor [527511]
Gamma-aminobutyric acid receptor subunit alpha-1 Target Info Inhibitor [527511]
KEGG Pathway Neuroactive ligand-receptor interaction
Retrograde endocannabinoid signaling
Serotonergic synapse
GABAergic synapse
Morphine addiction
Nicotine addictionhsa04080:Neuroactive ligand-receptor interaction
Nicotine addiction
Reactome Ligand-gated ion channel transport
GABA A receptor activationR-HSA-975298:Ligand-gated ion channel transport
GABA A receptor activation
WikiPathways Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell
Iron uptake and transportWP2754:Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell
Iron uptake and transportWP706:SIDS Susceptibility Pathways
Iron uptake and transport
References
Ref 467451(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: 4108).
Ref 524035ClinicalTrials.gov (NCT01673828) Allopregnanolone for the Treatment of Traumatic Brain Injury. U.S. National Institutes of Health.
Ref 527511J Med Chem. 2005 Apr 21;48(8):3051-9.Neurosteroid analogues. 10. The effect of methyl group substitution at the C-6 and C-7 positions on the GABA modulatory and anesthetic actions of (3alpha,5alpha)-and (3alpha,5beta)-3-hydroxypregnan-20-one.
Ref 528321J Med Chem. 2006 Jul 27;49(15):4595-605.Neurosteroid analogues. 11. Alternative ring system scaffolds: gamma-aminobutyric acid receptor modulation and anesthetic actions of benz[f]indenes.

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