Drug Information

Drug General Information
Drug ID
D00JTE
Former ID
DNC009866
Drug Name
1,1-diphenyl-2-(3-tropanyl)ethanol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530266]
Structure
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2D MOL

3D MOL
Formula
C22H27NO
Canonical SMILES
CN1C2CCC1CC(C2)CC(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
1S/C22H27NO/c1-23-20-12-13-21(23)15-17(14-20)16-22(24,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20-21,24H,12-16H2,1H3/t20-,21-/m1/s1
InChIKey
LAOBIJDCKIAALB-NHCUHLMSSA-N
PubChem Compound ID
45271007
PubChem Substance ID
131348605, 134347071
Target and Pathway
Target(s) Muscarinic acetylcholine receptor M1 Target Info Inhibitor [530266]
Muscarinic acetylcholine receptor M2 Target Info Inhibitor [530266]
Muscarinic acetylcholine receptor M3 Target Info Inhibitor [530266]
KEGG Pathway Calcium signaling pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
PI3K-Akt signaling pathway
Cholinergic synapse
Regulation of actin cytoskeletonhsa04020:Calcium signaling pathway
Regulation of actin cytoskeleton
Insulin secretion
Salivary secretion
Gastric acid secretion
Pancreatic secretion
PANTHER Pathway Alzheimer disease-amyloid secretase pathway
Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Muscarinic acetylcholine receptor 1 and 3 signaling pathwayP00003:Alzheimer disease-amyloid secretase pathway
Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Muscarinic acetylcholine receptor 2 and 4 signaling pathwayP00003:Alzheimer disease-amyloid secretase pathway
Muscarinic acetylcholine receptor 1 and 3 signaling pathway
PathWhiz Pathway Muscle/Heart ContractionPW000565:Gastric Acid Production
Reactome Muscarinic acetylcholine receptors
G alpha (q) signalling eventsR-HSA-390648:Muscarinic acetylcholine receptors
G alpha (i) signalling eventsR-HSA-390648:Muscarinic acetylcholine receptors
Acetylcholine regulates insulin secretion
G alpha (q) signalling events
WikiPathways Monoamine GPCRs
Calcium Regulation in the Cardiac Cell
Regulation of Actin Cytoskeleton
GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
Secretion of Hydrochloric Acid in Parietal Cells
GPCR ligand binding
GPCR downstream signalingWP706:SIDS Susceptibility Pathways
GPCR downstream signaling
GPCRs, OtherWP58:Monoamine GPCRs
Integration of energy metabolism
GPCRs, Other
References
Ref 530266Bioorg Med Chem Lett. 2009 Aug 15;19(16):4560-2. Epub 2009 Jul 8.Discovery of (3-endo)-3-(2-cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide as an efficacious inhaled muscarinic acetylcholine receptor antagonist for the treatment of COPD.
Ref 530266Bioorg Med Chem Lett. 2009 Aug 15;19(16):4560-2. Epub 2009 Jul 8.Discovery of (3-endo)-3-(2-cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide as an efficacious inhaled muscarinic acetylcholine receptor antagonist for the treatment of COPD.

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