Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0U4WP
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| Former ID |
DIB021248
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| Drug Name |
YM44781
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| Synonyms |
YM-44781; YM 44781
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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 |
C31H32Cl2FN3O2
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| Canonical SMILES |
CN(CC(CCN1CCC2(CC1)C3=CC=CC=C3CC(=O)N2)C4=CC(=C(C=C4)Cl)Cl)C(=O)C5=CC=C(C=C5)F
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| InChI |
1S/C31H32Cl2FN3O2/c1-36(30(39)21-6-9-25(34)10-7-21)20-24(22-8-11-27(32)28(33)18-22)12-15-37-16-13-31(14-17-37)26-5-3-2-4-23(26)19-29(38)35-31/h2-11,18,24H,12-17,19-20H2,1H3,(H,35,38)
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| InChIKey |
MIXOPBNZLJBQJH-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Substance-K receptor (TACR2) | Target Info | Antagonist | [2] |
| KEGG Pathway | Calcium signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Reactome | G alpha (q) signalling events | |||
| WikiPathways | Gastrin-CREB signalling pathway via PKC and MAPK | |||
| Peptide GPCRs | ||||
| 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: 2121). | |||
| REF 2 | Effect of YM-44781, YM-44778 and YM-49598, novel tachykinin antagonists, in a drug-induced bladder contraction model. Pharmacology. 2002 May;65(2):96-102. | |||
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