Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0Z6VT
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| Former ID |
DIB020378
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| Drug Name |
ML380
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| Synonyms |
VU0481443-3
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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 |
C23H25F3N4O3S
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| Canonical SMILES |
CCN(CC1=CC=CC=C1C(F)(F)F)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NN=C4
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| InChI |
1S/C23H25F3N4O3S/c1-2-29(15-17-5-3-4-6-20(17)23(24,25)26)22(31)16-9-11-30(12-10-16)34(32,33)19-7-8-21-18(13-19)14-27-28-21/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,27,28)
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| InChIKey |
FJPQEOQGIZSLES-UHFFFAOYSA-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: 8687). | |||
| REF 2 | Development of a highly potent, novel M5 positive allosteric modulator (PAM) demonstrating CNS exposure: 1-((1H-indazol-5-yl)sulfoneyl)-N-ethyl-N-(2-(trifluoromethyl)benzyl)piperidine-4-carboxamide (ML380). J Med Chem. 2014 Sep 25;57(18):7804-10. | |||
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