Drug Information

Drug General Information
Drug ID
D09AAZ
Former ID
DNC001161
Drug Name
PTAC
Drug Type
Small molecular drug
Indication Discovery agent Investigative [535327]
Structure
Download
2D MOL

3D MOL
Formula
C18H20N2O3
Canonical SMILES
C1CC(C2=C(C1)C=C(C=C2)OCC3=CC=CC=C3)N(C(=O)N)O
InChI
1S/C18H20N2O3/c19-18(21)20(22)17-8-4-7-14-11-15(9-10-16(14)17)23-12-13-5-2-1-3-6-13/h1-3,5-6,9-11,17,22H,4,7-8,12H2,(H2,19,21)
InChIKey
HGXVXGSOOPCMHM-UHFFFAOYSA-N
CAS Number
CAS 139148-95-1
PubChem Compound ID
197400
PubChem Substance ID
10262410, 14898924, 33517297, 80097552, 103391650, 103951629, 113465177, 125746372, 128059354, 134340391, 134340534, 135176036, 137828608, 141541204, 162789967, 234887082
Target and Pathway
Target(s) Muscarinic acetylcholine receptor M3 Target Info Antagonist [535327]
Muscarinic acetylcholine receptor M4 Target Info Agonist [535182]
Muscarinic acetylcholine receptor M2 Target Info Agonist [535182]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Cholinergic synapse
Regulation of actin cytoskeleton
Insulin secretion
Salivary secretion
Gastric acid secretion
Pancreatic secretionhsa04080:Neuroactive ligand-receptor interaction
Regulation of actin cytoskeletonhsa04020:Calcium signaling pathway
cAMP signaling pathway
PI3K-Akt signaling pathway
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 2 and 4 signaling pathway
PathWhiz Pathway Gastric Acid ProductionPW000564:Muscle/Heart Contraction
Reactome Muscarinic acetylcholine receptors
Acetylcholine regulates insulin secretion
G alpha (q) signalling eventsR-HSA-390648:Muscarinic acetylcholine receptors
G alpha (i) signalling eventsR-HSA-390648:Muscarinic acetylcholine receptors
G alpha (i) 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
Integration of energy metabolism
GPCR ligand binding
GPCR downstream signaling
GPCRs, OtherWP58:Monoamine GPCRs
GPCR downstream signalingWP706:SIDS Susceptibility Pathways
GPCRs, Other
References
Ref 535327Which muscarinic receptor is important in the bladder? World J Urol. 2001 Nov;19(5):299-306.
Ref 535182Function of pulmonary neuronal M(2) muscarinic receptors in stable chronic obstructive pulmonary disease. Am J Respir Crit Care Med. 2001 May;163(6):1320-5.
Ref 535327Which muscarinic receptor is important in the bladder? World J Urol. 2001 Nov;19(5):299-306.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.