Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D03YRN
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| Former ID |
DIB020433
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| Drug Name |
MRS2578
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| Synonyms |
MRS-2578; MRS 2578
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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 |
C20H20N6S4
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| Canonical SMILES |
C1=CC(=CC(=C1)N=C=S)NC(=S)NCCCCNC(=S)NC2=CC(=CC=C2)N=C=S
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| InChI |
1S/C20H20N6S4/c27-13-23-15-5-3-7-17(11-15)25-19(29)21-9-1-2-10-22-20(30)26-18-8-4-6-16(12-18)24-14-28/h3-8,11-12H,1-2,9-10H2,(H2,21,25,29)(H2,22,26,30)
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| InChIKey |
QOHNRGHTJPFMSL-UHFFFAOYSA-N
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| CAS Number |
CAS 711019-86-2
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| PubChem Compound ID | ||||
| PubChem Substance ID |
24724530, 26753205, 28689788, 29215128, 29962708, 57379813, 85229961, 91721398, 124971573, 135650661, 135698631, 136367869, 144116254, 144221024, 152344182, 162009798, 162205083, 162248581, 163126274, 172914190, 184604079, 186022465, 204366632, 208265202, 223400740, 241375788, 242059859, 243428916, 252156312, 252160518, 252215850
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | P2Y purinoceptor 6 (P2RY6) | Target Info | Antagonist | [2] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Reactome | G alpha (q) signalling events | |||
| P2Y receptors | ||||
| WikiPathways | Nucleotide GPCRs | |||
| GPCRs, Class A Rhodopsin-like | ||||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| 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: 1753). | |||
| REF 2 | Diisothiocyanate derivatives as potent, insurmountable antagonists of P2Y6 nucleotide receptors. Biochem Pharmacol. 2004 May 1;67(9):1763-70. | |||
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