Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0S1CQ
|
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| Former ID |
DNC005871
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| Drug Name |
RUPATADINE
|
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Phase 4 | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C26H29Cl4N3
|
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| Canonical SMILES |
CC1=CC(=CN=C1)CN2CCC(=C3C4=C(CCC5=C3N=CC=C5)C=C(C=C4)Cl<br />)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 | |||||
| SuperDrug ATC ID |
R06AX28
|
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| Target and Pathway | |||||
| Target(s) | Platelet-activating factor receptor | Target Info | Inhibitor | [2] | |
| Histamine H1 receptor | Target Info | Inhibitor | [2] | ||
| KEGG Pathway | Calcium signaling pathway | ||||
| Neuroactive ligand-receptor interaction | |||||
| Staphylococcus aureus infectionhsa04020:Calcium signaling pathway | |||||
| 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 signalingR-HSA-390650: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 signalingWP58:Monoamine GPCRs | |||||
| IL-4 Signaling Pathway | |||||
| GPCR downstream signaling | |||||
| References | |||||
| REF 1 | ClinicalTrials.gov (NCT00258141) Study With Rupatadine in Mosquito-Bite Allergic Adult Subjects. U.S. National Institutes of Health. | ||||
| REF 2 | J Med Chem. 2005 Oct 20;48(21):6523-43.Designed multiple ligands. An emerging drug discovery paradigm. | ||||
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