Drug Information

Drug General Information
Drug ID
D0E7PY
Former ID
DNC010656
Drug Name
Ro-4938581
Drug Type
Small molecular drug
Indication Discovery agent Investigative [467638]
Structure
Download
2D MOL

3D MOL
Formula
C13H8BrF2N5
InChI
InChI=1S/C13H8BrF2N5/c14-7-1-2-9-8(3-7)13-17-5-19-21(13)4-10-11(12(15)16)18-6-20(9)10/h1-3,5-6,12H,4H2
InChIKey
AFJRYPJIKHMNGL-UHFFFAOYSA-N
PubChem Compound ID
11624499
PubChem Substance ID
16727526, 23731878, 77949966, 103742726, 104145406, 134347861, 138742162, 178101116, 228539078, 246130379
Target and Pathway
Target(s) Gamma-aminobutyric-acid receptor alpha-2 subunit Target Info Inhibitor [530391]
Gamma-aminobutyric acid receptor subunit gamma-2 Target Info Inhibitor [530391]
Gamma-aminobutyric-acid receptor alpha-3 subunit Target Info Inhibitor [530391]
Gamma-aminobutyric acid receptor Target Info Inhibitor [530391]
Gamma-aminobutyric acid receptor subunit alpha-1 Target Info Inhibitor [530391]
Gamma-aminobutyric-acid receptor alpha-5 subunit Target Info Inhibitor [530391]
KEGG Pathway Neuroactive ligand-receptor interaction
Retrograde endocannabinoid signaling
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 467638(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: 4299).
Ref 530391Bioorg Med Chem Lett. 2009 Oct 15;19(20):5940-4. Epub 2009 Aug 15.The discovery and unique pharmacological profile of RO4938581 and RO4882224 as potent and selective GABAA alpha5 inverse agonists for the treatment of cognitive dysfunction.

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