Drug Information
Drug General Information | Top | |||
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Drug ID |
D0N1PH
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Former ID |
DIB021249
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Drug Name |
YM49598
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Synonyms |
YM-49598
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Drug Type |
Small molecular drug
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL
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Formula |
C36H45Cl2N2O2+
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Canonical SMILES |
CC(C)OC1=CC=CC(=C1)CC(=O)N2CCCC(C2)(CC[N+]3(CCC(CC3)C4=CC=CC=C4)C)C5=CC(=C(C=C5)Cl)Cl
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InChI |
1S/C36H45Cl2N2O2/c1-27(2)42-32-12-7-9-28(23-32)24-35(41)39-19-8-17-36(26-39,31-13-14-33(37)34(38)25-31)18-22-40(3)20-15-30(16-21-40)29-10-5-4-6-11-29/h4-7,9-14,23,25,27,30H,8,15-22,24,26H2,1-3H3/q+1
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InChIKey |
QRSSYNAUQYYMPH-UHFFFAOYSA-N
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PubChem Compound ID | ||||
PubChem Substance ID |
Target and Pathway | Top | |||
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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 | |||
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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: 2122). | |||
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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