Drug Information

Drug General Information
Drug ID
D0BP7C
Former ID
DIB005074
Drug Name
J-104135
Drug Type
Small molecular drug
Indication Chronic obstructive pulmonary disease [ICD9: 490-492, 494-496; ICD10:J40-J44, J47] Investigative [543432]
Company
MSD Japan
Structure
Download
2D MOL

3D MOL
Formula
C38H32N2O12
Canonical SMILES
CC(C(CC=CC1=NC2=CC=CC=C2O1)C3=CC4=C(C=C3)OCO4)N(CC5=CC6<br />=CC=CC=C6C=C5)C(=O)C7C(OC(O7)(C(=O)O)C(=O)O)C(=O)O
InChI
1S/C38H32N2O12/c1-21(26(25-15-16-29-30(18-25)49-20-48-29)9-6-12-31-39-27-10-4-5-11-28(27)50-31)40(19-22-13-14-23-7-2-3-8-24(23)17-22)34(41)32-33(35(42)43)52-38(51-32,36(44)45)37(46)47/h2-8,10-18,21,26,32-33H,9,19-20H2,1H3,(H,42,43)(H,44,45)(H,46,47)/b12-6+/t21-,26+,32+,33-/m1/s1
InChIKey
CXDSZFRIMJUZKT-MRGWGSTCSA-N
PubChem Compound ID
9962301
PubChem Substance ID
15634131, 24229606, 46058889, 76108328, 172649616, 198978787, 240163707, 240163710
Target and Pathway
Target(s) Muscarinic acetylcholine receptor M3 Target Info Agonist [543432]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Cholinergic synapse
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 pathway
PathWhiz Pathway Gastric Acid Production
Reactome 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
Integration of energy metabolism
GPCR ligand binding
GPCR downstream signaling
GPCRs, Other
References
Ref 543432(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. (Target id: 15).
Ref 543432(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. (Target id: 15).

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