Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0Z9KR
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| Former ID |
DIB021214
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| Drug Name |
WDuo3
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| Synonyms |
1,1'-Trimethylenebis[4-(phthalimidylmethoxyiminomethyl)pyridinium]
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C33H28N6O6+2
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| Canonical SMILES |
C1=CC=C2C(=C1)C(=O)N(C2=O)CON=CC3=CC=[N+](C=C3)CCC[N+]4=CC=C(C=C4)C=NOCN5C(=O)C6=CC=CC=C6C5=O
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| InChI |
1S/C33H28N6O6/c40-30-26-6-1-2-7-27(26)31(41)38(30)22-44-34-20-24-10-16-36(17-11-24)14-5-15-37-18-12-25(13-19-37)21-35-45-23-39-32(42)28-8-3-4-9-29(28)33(39)43/h1-4,6-13,16-21H,5,14-15,22-23H2/q+2/b34-20+,35-21+
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| InChIKey |
OLTRDACQFPTOSK-VQGAUUQYSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Muscarinic acetylcholine receptor (CHRM) | Target Info | Modulator (allosteric modulator) | [2] |
| KEGG Pathway | Calcium signaling pathway | |||
| cAMP signaling pathway | ||||
| Neuroactive ligand-receptor interaction | ||||
| PI3K-Akt signaling pathway | ||||
| Cholinergic synapse | ||||
| Regulation of actin cytoskeleton | ||||
| Pathwhiz Pathway | Muscle/Heart Contraction | |||
| 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 | ||||
| Secretion of Hydrochloric Acid in Parietal Cells | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: 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: 363). | |||
| REF 2 | Interactions of orthosteric and allosteric ligands with [3H]dimethyl-W84 at the common allosteric site of muscarinic M2 receptors. Mol Pharmacol. 2003 Jul;64(1):180-90. | |||
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