Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0E7PY
|
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| Former ID |
DNC010656
|
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| Drug Name |
Ro-4938581
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D 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
|
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| Target and Pathway | |||||
| Target(s) | Gamma-aminobutyric-acid receptor alpha-2 subunit | Target Info | Inhibitor | [2] | |
| Gamma-aminobutyric acid receptor subunit gamma-2 | Target Info | Inhibitor | [2] | ||
| Gamma-aminobutyric-acid receptor alpha-3 subunit | Target Info | Inhibitor | [2] | ||
| Gamma-aminobutyric acid receptor | Target Info | Inhibitor | [2] | ||
| Gamma-aminobutyric acid receptor subunit alpha-1 | Target Info | Inhibitor | [2] | ||
| Gamma-aminobutyric-acid receptor alpha-5 subunit | Target Info | Inhibitor | [2] | ||
| 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 1 | (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 2 | Bioorg 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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