Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D01IHM
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| Former ID |
DNC004062
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| Drug Name |
CI-218872
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| Synonyms |
66548-69-4; CL 218872; CL 218,872; 3-methyl-6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine; CHEMBL13662; CL-218872; CI-218872; 3-Methyl-6-(3-(trifluoromethyl)phenyl)-1,2,4-triazolo(4,2-b)pyridazine; 1,2,4-Triazolo(4,3-b)pyridazine, 3-methyl-6-(3-(trifluoromethyl)phenyl)-; 3-Methyl-6-(3-(trifluoromethyl)phenyl)-[1,2,4]triazolo[4,3-b]pyridazine; 3-Methyl-6-[-3-(trifluoromethyl)phenyl]-1,2,4-triazolo[4,3-b]pyridazine; 3-Methyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazolo-(4,3-b)pyridazine
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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 |
C13H9F3N4
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| Canonical SMILES |
CC1=NN=C2N1N=C(C=C2)C3=CC(=CC=C3)C(F)(F)F
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| InChI |
1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
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| InChIKey |
GUOQUXNJZHGPQF-UHFFFAOYSA-N
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| CAS Number |
CAS 66548-69-4
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:92018
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | GABA(A) receptor alpha-1 (GABRA1) | Target Info | Inhibitor | [1] |
| 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 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 | [2] | |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Retrograde endocannabinoid signaling | ||||
| Serotonergic synapse | ||||
| 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 | Four amino acid exchanges convert a diazepam-insensitive, inverse agonist-preferring GABAA receptor into a diazepam-preferring GABAA receptor. J Med Chem. 1994 Dec 23;37(26):4576-80. | |||
| REF 2 | Design, synthesis, and subtype selectivity of 3,6-disubstituted -carbolines at Bz/GABA(A)ergic receptors. SAR and studies directed toward agents f... Bioorg Med Chem. 2010 Nov 1;18(21):7548-64. | |||
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