Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D00WLO
|
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| Former ID |
DNC004324
|
||||
| Drug Name |
GBR-12909
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Phase 1 | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C28H34Cl2F2N2O
|
||||
| Canonical SMILES |
C1CN(CCN1CCCC2=CC=CC=C2)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C<br />4)F.Cl.Cl
|
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| InChI |
1S/C28H32F2N2O.2ClH/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23;;/h1-3,5-6,8-15,28H,4,7,16-22H2;2*1H
|
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| InChIKey |
MIBSKSYCRFWIRU-UHFFFAOYSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Adenosine A3 receptor | Target Info | Inhibitor | [2] | |
| Mu-type opioid receptor | Target Info | Inhibitor | [3] | ||
| KEGG Pathway | Neuroactive ligand-receptor interaction | ||||
| Estrogen signaling pathway | |||||
| Morphine addiction | |||||
| NetPath Pathway | TCR Signaling Pathway | ||||
| PANTHER Pathway | Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway | ||||
| Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway | |||||
| Enkephalin release | |||||
| Pathway Interaction Database | IL4-mediated signaling events | ||||
| Reactome | Adenosine P1 receptors | ||||
| G alpha (i) signalling eventsR-HSA-375276:Peptide ligand-binding receptors | |||||
| G alpha (i) signalling events | |||||
| WikiPathways | Nucleotide GPCRs | ||||
| GPCRs, Class A Rhodopsin-like | |||||
| GPCRs, OtherWP69:TCR Signaling Pathway | |||||
| Peptide GPCRs | |||||
| Opioid Signalling | |||||
| GPCR ligand binding | |||||
| GPCR downstream signaling | |||||
| References | |||||
| REF 1 | ClinicalTrials.gov (NCT00218049) Interaction Between Vanoxerine (GBR 12909) and Cocaine in Cocaine Dependent Individuals. U.S. National Institutes of Health. | ||||
| REF 2 | J Med Chem. 2005 Nov 3;48(22):6887-96.2-n-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine and analogues as A2A adenosine receptor antagonists. Design, synthesis, and pharmacological characterization. | ||||
| REF 3 | J Med Chem. 2001 Oct 11;44(21):3391-401.From hit to lead. Analyzing structure-profile relationships. | ||||
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