Drug General Information
Drug ID
D04IFU
Former ID
DCL000393
Drug Name
GSK835726
Drug Type
Small molecular drug
Indication Allergic rhinitis [ICD9: 472.0, 477, 995.3; ICD10:J00, J30, J31.0, T78.4] Discontinued in Phase 2 [548731]
Company
GSK
Structure
Download
2D MOL

3D MOL

Formula
C42H47F3N4O8
Canonical SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CCCCN)NC(=O)C(CC3CCCCC<br />3)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46.C(=O)(C(F)(F)F)O
InChI
1S/C40H46N4O6.C2HF3O2/c1-25-21-37(45)50-36-23-27(18-19-28(25)36)42-38(46)34(17-9-10-20-41)43-39(47)35(22-26-11-3-2-4-12-26)44-40(48)49-24-33-31-15-7-5-13-29(31)30-14-6-8-16-32(30)33;3-2(4,5)1(6)7/h5-8,13-16,18-19,21,23,26,33-35H,2-4,9-12,17,20,22,24,41H2,1H3,(H,42,46)(H,43,47)(H,44,48);(H,6,7)/t34-,35-;/m0./s1
InChIKey
NLKOPSMADZXEPE-WDAFUDAASA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Histamine H1 receptor Target Info Antagonist [550963]
Histamine H3 receptor Target Info Antagonist [550963]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Inflammatory mediator regulation of TRP channelshsa04080:Neuroactive ligand-receptor interaction
PANTHER Pathway Histamine H1 receptor mediated signaling pathway
Reactome Histamine receptors
G alpha (q) signalling eventsR-HSA-390650:Histamine receptors
G alpha (i) signalling events
WikiPathways Monoamine GPCRs
GPCRs, Class A Rhodopsin-like
IL-4 Signaling Pathway
Gastrin-CREB signalling pathway via PKC and MAPK
GPCR ligand binding
GPCR downstream signalingWP727:Monoamine Transport
GPCR downstream signaling
References
Ref 548731Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800028154)
Ref 550963Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).

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