Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0FQ2N
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| Former ID |
DNC012334
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| Drug Name |
3-Isothiocyanato-9H-beta-carboline
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| Synonyms |
CHEMBL53651; 3-Isothiocyanato-9H-beta-carboline; 9H-Pyrido[3,4-b]indole, 3-isothiocyanato-; CHEMBL2262044; beta-Carbolin-3-yl isothiocyanate; BDBM50013788
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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 |
C12H7N3S
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| Canonical SMILES |
C1=CC=C2C(=C1)C3=CC(=NC=C3N2)N=C=S
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| InChI |
1S/C12H7N3S/c16-7-14-12-5-9-8-3-1-2-4-10(8)15-11(9)6-13-12/h1-6,15H
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| InChIKey |
NEOUOHDNZDRDNJ-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | GABA(A) receptor alpha-1 (GABRA1) | Target Info | Inhibitor | [1] |
| GABA(A) receptor beta-2 (GABRB2) | Target Info | Inhibitor | [1] | |
| GABA(A) receptor gamma-2 (GABRG2) | Target Info | Inhibitor | [1] | |
| Gamma-aminobutyric acid receptor (GAR) | Target Info | Inhibitor | [1] | |
| 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 | Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell | |||
| Iron uptake and transport | ||||
| SIDS Susceptibility Pathways | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Synthetic and computer-assisted analyses of the pharmacophore for the benzodiazepine receptor inverse agonist site. J Med Chem. 1990 Sep;33(9):2343-57. | |||
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