Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D09RGM
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| Former ID |
DNC008102
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| Drug Name |
N,N-bis(tosylmethyl)hexan-1-amine
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| Synonyms |
CHEMBL252145; N,N-bis(tosylmethyl)hexan-1-amine; AC1MWCYZ; N,N-bis[(4-methylphenyl)sulfonylmethyl]hexan-1-amine; N,N-Bis(tosylmethyl)hexane-1-amine
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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 |
C22H31NO4S2
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| Canonical SMILES |
CCCCCCN(CS(=O)(=O)C1=CC=C(C=C1)C)CS(=O)(=O)C2=CC=C(C=C2)C
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| InChI |
1S/C22H31NO4S2/c1-4-5-6-7-16-23(17-28(24,25)21-12-8-19(2)9-13-21)18-29(26,27)22-14-10-20(3)11-15-22/h8-15H,4-7,16-18H2,1-3H3
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| InChIKey |
JNUXLFWPSMEIDT-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Melanin-concentrating hormone receptor 1 (MCHR1) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (q) signalling events | ||||
| G alpha (i) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Discovery of novel chemotypes to a G-protein-coupled receptor through ligand-steered homology modeling and structure-based virtual screening. J Med Chem. 2008 Feb 14;51(3):581-8. | |||
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