Drug Information

Drug General Information
Drug ID
D03QMR
Former ID
DNC003793
Drug Name
WB-4101
Drug Type
Small molecular drug
Indication Discovery agent Terminated [468117], [545656]
Structure
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2D MOL

3D MOL
Formula
C19H23NO5
InChI
InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3
InChIKey
GYSZUJHYXCZAKI-UHFFFAOYSA-N
PubChem Compound ID
5685
PubChem Substance ID
5455582, 8153486, 11364724, 11367286, 11369848, 11371810, 11374784, 11378012, 11485246, 11489391, 11490601, 11493027, 11495629, 12012584, 14778240, 26751986, 29224722, 47589181, 47810969, 48185182, 50070270, 50070940, 50104662, 57322893, 80424907, 85209354, 85789607, 90341701, 92729686, 103094355, 103155021, 103194723, 103921864, 104309956, 117603566, 124749631, 124879832, 124879833, 126408198, 128025709, 134340998, 135061510, 135208365, 135610556, 135651323, 179039392, 227079672, 252647768
Target and Pathway
Target(s) Alpha-1B adrenergic receptor Target Info Inhibitor [533682]
Alpha-2A adrenergic receptor Target Info Inhibitor [533545]
5-hydroxytryptamine 1A receptor Target Info Inhibitor [533936]
Alpha-2C adrenergic receptor Target Info Inhibitor [533545]
Alpha-2B adrenergic receptor Target Info Inhibitor [533545]
Alpha-1A adrenergic receptor Target Info Inhibitor [533682]
Alpha-1D adrenergic receptor Target Info Inhibitor [533682]
KEGG Pathway Calcium signaling pathway
cGMP-PKG signaling pathway
Neuroactive ligand-receptor interaction
Adrenergic signaling in cardiomyocytes
Vascular smooth muscle contraction
Salivary secretionhsa04022:cGMP-PKG signaling pathway
Neuroactive ligand-receptor interactionhsa04024:cAMP signaling pathway
Serotonergic synapsehsa04022:cGMP-PKG signaling pathway
Neuroactive ligand-receptor interactionhsa04022:cGMP-PKG signaling pathway
Neuroactive ligand-receptor interactionhsa04020:Calcium signaling pathway
AMPK signaling pathway
Salivary secretionhsa04020:Calcium signaling pathway
Salivary secretion
NetPath Pathway IL2 Signaling PathwayNetPath_14:IL2 Signaling Pathway
PANTHER Pathway Alpha adrenergic receptor signaling pathwayP00002:Alpha adrenergic receptor signaling pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
5HT1 type receptor mediated signaling pathwayP00002:Alpha adrenergic receptor signaling pathway
Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathwayP00002:Alpha adrenergic receptor signaling pathway
Pathway Interaction Database LPA receptor mediated events
Reactome Adrenoceptors
G alpha (q) signalling events
G alpha (12/13) signalling eventsR-HSA-390696:Adrenoceptors
Adrenaline signalling through Alpha-2 adrenergic receptor
Adrenaline,noradrenaline inhibits insulin secretion
G alpha (i) signalling events
G alpha (z) signalling events
Surfactant metabolismR-HSA-390666:Serotonin receptors
G alpha (i) signalling eventsR-HSA-390696:Adrenoceptors
Surfactant metabolismR-HSA-390696:Adrenoceptors
G alpha (z) signalling eventsR-HSA-390696:Adrenoceptors
G alpha (12/13) signalling events
WikiPathways Monoamine GPCRs
Calcium Regulation in the Cardiac Cell
GPCRs, Class A Rhodopsin-like
Vitamin D Receptor Pathway
Gastrin-CREB signalling pathway via PKC and MAPK
GPCR ligand binding
GPCR downstream signaling
AMPK SignalingWP58:Monoamine GPCRs
Platelet Aggregation (Plug Formation)
Integration of energy metabolism
GPCR downstream signalingWP722:Serotonin HTR1 Group and FOS Pathway
SIDS Susceptibility Pathways
GPCR downstream signalingWP58:Monoamine GPCRs
Endothelin Pathways
GPCRs, Other
References
Ref 468117(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: 499).
Ref 545656Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800004048)
Ref 533545J Med Chem. 1982 Dec;25(12):1389-401.alpha 2 adrenoceptors: classification, localization, mechanisms, and targets for drugs.
Ref 533682J Med Chem. 1995 Sep 1;38(18):3415-44.Alpha- and beta-adrenoceptors: from the gene to the clinic. 1. Molecular biology and adrenoceptor subclassification.
Ref 533936J Med Chem. 1993 Oct 15;36(21):3161-5.Synthesis of (R,S)-trans-8-hydroxy-2-[N-n-propyl-N-(3'-iodo-2'-propenyl)amino]tetral in (trans-8-OH-PIPAT): a new 5-HT1A receptor ligand.

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