Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D04OOK
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| Former ID |
DNC008103
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| Drug Name |
Phenyl-N,N-bis(tosylmethyl)methanamine
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| Synonyms |
CHEMBL399303; phenyl-N,N-bis(tosylmethyl)methanamine; Benzylbis[(4-methylbenzenesulfonyl)methyl]amine; 65950-40-5; AC1MXBV6; SCHEMBL3972986; CTK1I1277; DTXSID60396416; ZINC15776492; BDBM50232467; AKOS027445593; N,N-Bis(tosylmethyl)benzenemethanamine; N,N-bis[(4-methylphenyl)sulfonylmethyl]-1-phenylmethanamine; Benzenemethanamine, N,N-bis[[(4-methylphenyl)sulfonyl]methyl]-
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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 |
C23H25NO4S2
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| Canonical SMILES |
CC1=CC=C(C=C1)S(=O)(=O)CN(CC2=CC=CC=C2)CS(=O)(=O)C3=CC=C(C=C3)C
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| InChI |
1S/C23H25NO4S2/c1-19-8-12-22(13-9-19)29(25,26)17-24(16-21-6-4-3-5-7-21)18-30(27,28)23-14-10-20(2)11-15-23/h3-15H,16-18H2,1-2H3
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| InChIKey |
KQKVTPWQOSNHBI-UHFFFAOYSA-N
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| CAS Number |
CAS 65950-40-5
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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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