Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D04YWX
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| Former ID |
DIB020881
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| Drug Name |
S22153
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| Synonyms |
S 22153; S-22153
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
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| Formula |
C14H17NOS
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| Canonical SMILES |
CCC1=CC2=C(C=C1)SC=C2CCNC(=O)C
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| InChI |
1S/C14H17NOS/c1-3-11-4-5-14-13(8-11)12(9-17-14)6-7-15-10(2)16/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,16)
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| InChIKey |
PICRXJDULXLJCZ-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Melatonin receptor type 1A (MTNR1A) | Target Info | Antagonist | [2] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Circadian entrainment | ||||
| Reactome | Class A/1 (Rhodopsin-like receptors) | |||
| G alpha (i) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Small Ligand GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1361). | |||
| REF 2 | New selective ligands of human cloned melatonin MT1 and MT2 receptors. Naunyn Schmiedebergs Arch Pharmacol. 2003 Jun;367(6):553-61. | |||
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