Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0S1CQ
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| Former ID |
DNC005871
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| Drug Name |
RUPATADINE
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| Synonyms |
Rupatadine trihydrochloride; UNII-G61C8NZY2T; G61C8NZY2T; 156611-76-6; Rupatadine HCl; Rupatadine hydrochloride; UR 12592; AC1L320L; DTXSID90166109; BQFOTHHRVVHLEW-UHFFFAOYSA-N; 8-Chloro-6,11-dihydro-11-(1-((5-methyl-3-pyridinyl)methyl)-4-piperidinylidene)-5H-benzo(5,6)cyclohepta(1,2-b)pyridine trihydrochloride; 5H-Benzo(5,6)cyclohepta(1,2-b)pyridine, 8-chloro-6,11-dihydro-11-(1-((5-methyl-3-pyridinyl)methyl)-4-piperidinylidene)-, trihydrochloride
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| Drug Type |
Small molecular drug
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| Structure |
 |
Download2D MOL |
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| Formula |
C26H26ClN3
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| Canonical SMILES |
CC1=CC(=CN=C1)CN2CCC(=C3C4=C(CCC5=C3N=CC=C5)C=C(C=C4)Cl)CC2
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| InChI |
1S/C26H26ClN3/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3
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| InChIKey |
WUZYKBABMWJHDL-UHFFFAOYSA-N
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| CAS Number |
CAS 158876-82-5
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:135673
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| SuperDrug ATC ID |
R06AX28
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Histamine H1 receptor (H1R) | Target Info | Inhibitor | [1] |
| Platelet-activating factor receptor (PTAFR) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Calcium signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Staphylococcus aureus infection | ||||
| Inflammatory mediator regulation of TRP channels | ||||
| NetPath Pathway | IL5 Signaling Pathway | |||
| Leptin Signaling Pathway | ||||
| Panther Pathway | Histamine H1 receptor mediated signaling pathway | |||
| Reactome | Class A/1 (Rhodopsin-like receptors) | |||
| G alpha (q) signalling events | ||||
| Interferon gamma signaling | ||||
| Histamine receptors | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Small Ligand GPCRs | ||||
| Interferon gamma signaling | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| Monoamine GPCRs | ||||
| IL-4 Signaling Pathway | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Designed multiple ligands. An emerging drug discovery paradigm. J Med Chem. 2005 Oct 20;48(21):6523-43. | |||
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