Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0U9HE
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| Former ID |
DNC008999
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| Drug Name |
RS-102,221
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| Synonyms |
RS-102221; RS102221; 185376-97-0; RS 102221 HCl; Tocris-1050; RS-102,221; Biomol-NT_000133; AC1MW45U; GTPL187; CHEMBL88402; SCHEMBL7107338; BPBio1_000243; RS102221 HCl; CHEBI:93519; BDBM85098; HZZZZODVDSHQRG-UHFFFAOYSA-N; BCP03496; ZINC26580328; PDSP1_001633; PDSP2_001617; NCGC00024967-02; NCGC00024967-01; L000523; BRD-K87048468-003-01-9; N-{5-[5-(2,4-dioxo -1,3,8-triazaspiro[4.5]dec-8-yl)pentanoyl]-2,4-dimethoxyphenyl}-4-trifluoromethylbenzenesulfonamide
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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 |
C27H31F3N4O7S
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| Canonical SMILES |
COC1=CC(=C(C=C1C(=O)CCCCN2CCC3(CC2)C(=O)NC(=O)N3)NS(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)OC
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| InChI |
1S/C27H31F3N4O7S/c1-40-22-16-23(41-2)20(33-42(38,39)18-8-6-17(7-9-18)27(28,29)30)15-19(22)21(35)5-3-4-12-34-13-10-26(11-14-34)24(36)31-25(37)32-26/h6-9,15-16,33H,3-5,10-14H2,1-2H3,(H2,31,32,36,37)
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| InChIKey |
HZZZZODVDSHQRG-UHFFFAOYSA-N
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| CAS Number |
CAS 185376-97-0
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:93519
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | 5-HT 2C receptor (HTR2C) | Target Info | Inhibitor | [2] |
| KEGG Pathway | Calcium signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Gap junction | ||||
| Serotonergic synapse | ||||
| Inflammatory mediator regulation of TRP channels | ||||
| Panther Pathway | 5HT2 type receptor mediated signaling pathway | |||
| Reactome | Serotonin receptors | |||
| G alpha (q) signalling events | ||||
| WikiPathways | Serotonin Receptor 2 and ELK-SRF/GATA4 signaling | |||
| Monoamine GPCRs | ||||
| GPCRs, Class A Rhodopsin-like | ||||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| 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: 187). | |||
| REF 2 | cis-4-(Piperazin-1-yl)-5,6,7a,8,9,10,11,11a-octahydrobenzofuro[2,3-h]quinazolin-2-amine (A-987306), a new histamine H4R antagonist that blocks pain... J Med Chem. 2008 Nov 27;51(22):7094-8. | |||
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