Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0E7PY
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| Former ID |
DNC010656
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| Drug Name |
Ro-4938581
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| Synonyms |
Ro-4938581; RO4938581; 883093-10-5; CHEMBL1080588; 3-bromo-10-(difluoromethyl)-9H-benzo[f]imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]diazepine; RO 4938581; 4-tert.Butylcalix[8]arene; SCHEMBL2426998; GTPL4299; EX-A856; ZINC35950127; BDBM50311045; AKOS027339432; AS-42921; HY-107489; FT-0700395; CS-0028618; J-690380
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C13H8BrF2N5
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| Canonical SMILES |
C1C2=C(N=CN2C3=C(C=C(C=C3)Br)C4=NC=NN41)C(F)F
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| 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
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| InChIKey |
AFJRYPJIKHMNGL-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | GABA(A) receptor alpha-1 (GABRA1) | Target Info | Inhibitor | [2] |
| GABA(A) receptor alpha-2 (GABRA2) | Target Info | Inhibitor | [2] | |
| GABA(A) receptor alpha-3 (GABRA3) | Target Info | Inhibitor | [2] | |
| GABA(A) receptor alpha-5 (GABRA5) | Target Info | Inhibitor | [2] | |
| GABA(A) receptor gamma-2 (GABRG2) | Target Info | Inhibitor | [2] | |
| Gamma-aminobutyric acid receptor (GAR) | Target Info | Inhibitor | [2] | |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Retrograde endocannabinoid signaling | ||||
| GABAergic synapse | ||||
| Morphine addiction | ||||
| Nicotine addiction | ||||
| Reactome | Ligand-gated ion channel transport | |||
| GABA A receptor activation | ||||
| WikiPathways | Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell | |||
| Iron uptake and transport | ||||
| SIDS Susceptibility Pathways | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: 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 | The discovery and unique pharmacological profile of RO4938581 and RO4882224 as potent and selective GABAA alpha5 inverse agonists for the treatment... Bioorg Med Chem Lett. 2009 Oct 15;19(20):5940-4. | |||
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