Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D01IHM
|
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| Former ID |
DNC004062
|
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| Drug Name |
CI-218872
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C13H9F3N4
|
||||
| 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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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Gamma-aminobutyric acid receptor subunit beta-2 | Target Info | Inhibitor | [1] | |
| Gamma-aminobutyric acid receptor subunit alpha-1 | Target Info | Inhibitor | [1] | ||
| Gamma-aminobutyric-acid receptor alpha-5 subunit | Target Info | Inhibitor | [2] | ||
| Gamma-aminobutyric acid receptor subunit gamma-2 | Target Info | Inhibitor | [1] | ||
| Gamma-aminobutyric-acid receptor alpha-2 subunit | Target Info | Inhibitor | [2] | ||
| Gamma-aminobutyric acid receptor | Target Info | Inhibitor | [2] | ||
| Gamma-aminobutyric-acid receptor alpha-3 subunit | Target Info | Inhibitor | [2] | ||
| KEGG Pathway | Neuroactive ligand-receptor interaction | ||||
| Retrograde endocannabinoid signaling | |||||
| Serotonergic synapse | |||||
| 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 transportWP706:SIDS Susceptibility Pathways | |||||
| Iron uptake and transportWP2754:Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell | |||||
| Iron uptake and transport | |||||
| References | |||||
| REF 1 | J Med Chem. 1994 Dec 23;37(26):4576-80.Four amino acid exchanges convert a diazepam-insensitive, inverse agonist-preferring GABAA receptor into a diazepam-preferring GABAA receptor. | ||||
| REF 2 | Bioorg Med Chem. 2010 Nov 1;18(21):7548-64. Epub 2010 Sep 29.Design, synthesis, and subtype selectivity of 3,6-disubstituted |A-carbolines at Bz/GABA(A)ergic receptors. SAR and studies directed toward agents for treatment of alcohol abuse. | ||||
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