Drug Information

Drug General Information
Drug ID
D0S1CQ
Former ID
DNC005871
Drug Name
RUPATADINE
Drug Type
Small molecular drug
Indication Discovery agent Phase 4 [521763]
Structure
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2D MOL

3D MOL
Formula
C26H29Cl4N3
Canonical SMILES
CC1=CC(=CN=C1)CN2CCC(=C3C4=C(CCC5=C3N=CC=C5)C=C(C=C4)Cl<br />)CC2
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
InChIKey
WUZYKBABMWJHDL-UHFFFAOYSA-N
CAS Number
CAS 158876-82-5
PubChem Compound ID
133016
SuperDrug ATC ID
R06AX28
Target and Pathway
Target(s) Platelet-activating factor receptor Target Info Inhibitor [527799]
Histamine H1 receptor Target Info Inhibitor [527799]
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 521763ClinicalTrials.gov (NCT00258141) Study With Rupatadine in Mosquito-Bite Allergic Adult Subjects. U.S. National Institutes of Health.
Ref 527799J Med Chem. 2005 Oct 20;48(21):6523-43.Designed multiple ligands. An emerging drug discovery paradigm.

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