Drug General Information
Drug ID
D0J0CA
Former ID
DNC011810
Drug Name
BETA-CCM
Drug Type
Small molecular drug
Indication Discovery agent Investigative [533745]
Structure
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2D MOL

3D MOL

Formula
C13H10N2O2
Canonical SMILES
COC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2
InChI
1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
InChIKey
UKHFPVCOXBJPIN-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Gamma-aminobutyric acid receptor subunit beta-2 Target Info Inhibitor [533745]
Gamma-aminobutyric acid receptor Target Info Inhibitor [533763]
Gamma-aminobutyric acid receptor subunit gamma-2 Target Info Inhibitor [533546]
Gamma-aminobutyric acid receptor subunit alpha-1 Target Info Inhibitor [533763]
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 transportWP2754:Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell
Iron uptake and transportWP706:SIDS Susceptibility Pathways
Iron uptake and transport
References
Ref 533745J 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 533546J Med Chem. 1983 Apr;26(4):499-503.beta-Carbolines as benzodiazepine receptor ligands. 1. Synthesis and benzodiazepine receptor interaction of esters of beta-carboline-3-carboxylic acid.
Ref 533745J 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 533763J Med Chem. 1995 Jan 6;38(1):189-98.Synthetic routes to 4-amino-3-carboxy-beta-carboline derivatives: incidental formation of novel furo[3,4-c]-beta-carbolin-2-ones displaying high affinities for thebenzodiazepine receptor.

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