Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0UQ6J
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| Former ID |
DNC011747
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| Drug Name |
RO-194603
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| Synonyms |
Ro 19-4603; 99632-94-7; Ro-19-4603; 5,6-DIHYDRO-5-METHYL-6-OXO-4H-IMIDAZO[1,5-A]THIENO[2,3-F][1,4]DIAZEPINE-3-CARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER; Tocris-1995; AC1L2RWP; tert-butyl 5-methyl-6-oxo-5,6-dihydro-4h-imidazo[1,5-a]thieno[2,3-f][1,4]diazepine-3-carboxylate; RO-194603; CHEMBL269366; CHEBI:34952; RO19-4603; ZIGMMUKDYCABPW-UHFFFAOYSA-N; AC1Q5XKN; C13716; SCHEMBL2464268; GTPL4297; ZINC3945; CTK8D8286; DTXSID90244173; MolPort-023-276-300; HMS3268D07; PDSP1_001769; PDSP2_001752; BDBM50034835; AKOS024456899; NCGC00025337-01
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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 |
C15H17N3O3S
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| Canonical SMILES |
CC(C)(C)OC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CS3)C
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| InChI |
1S/C15H17N3O3S/c1-15(2,3)21-14(20)11-10-7-17(4)13(19)12-9(5-6-22-12)18(10)8-16-11/h5-6,8H,7H2,1-4H3
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| InChIKey |
ZIGMMUKDYCABPW-UHFFFAOYSA-N
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| CAS Number |
CAS 99632-94-7
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| PubChem Compound ID | ||||
| PubChem Substance ID |
586305, 7980532, 10241758, 11114258, 29306674, 47285939, 47880172, 78645845, 103164534, 103850244, 103942961, 104365686, 117550484, 129906605, 134348952, 135082773, 135698298, 138742161, 162023137, 163113200, 177748541, 178101114, 179293778, 184538636, 223442228, 223454622, 224896397, 228573030, 241170337, 241375732, 249617464, 251962114, 252156243, 252341850
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| ChEBI ID |
CHEBI:34952
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | GABA(A) receptor alpha-1 (GABRA1) | Target Info | Inhibitor | [2] |
| GABA(A) receptor beta-2 (GABRB2) | 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 | ||||
| Serotonergic synapse | ||||
| Reactome | Ligand-gated ion channel transport | |||
| GABA A receptor activation | ||||
| WikiPathways | SIDS Susceptibility Pathways | |||
| Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell | ||||
| Iron uptake and transport | ||||
| 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: 4297). | |||
| REF 2 | Synthesis and evaluation of imidazo[1,5-a][1,4]benzodiazepine esters with high affinities and selectivities at "diazepam-insensitive" benzodiazepin... J Med Chem. 1993 Apr 16;36(8):1001-6. | |||
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