Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0Y4WR
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| Former ID |
DIB007632
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| Drug Name |
R-1
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| Synonyms |
IBS therapeutics, Pharmagene; Irritable bowel syndrome therapeutics, Pharmagene; PGN-1091; PGN-1164; R-1 (IBS); R-1(IBS), Asterand; R-1 (IBS), Pharmagene; 5HT 2b antagonist (IBS), Pharmagene
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| Drug Type |
Small molecular drug
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| Indication | Irritable bowel syndrome [ICD-11: DD91.0; ICD-10: K55-K64, K58; ICD-9: 564.1, 787.91] | Investigative | [1] | |
| Company |
Pharmagene plc
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| Structure |
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Download2D MOL
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| Formula |
C32H58O13
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| Canonical SMILES |
CCCCCCCC(CC(=O)O)OC(=O)CC(CCCCCCC)OC1C(C(C(C(O1)C)O)O)OC2C(C(C(C(O2)C)O)O)O
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| InChI |
1S/C32H58O13/c1-5-7-9-11-13-15-21(17-23(33)34)43-24(35)18-22(16-14-12-10-8-6-2)44-32-30(28(39)26(37)20(4)42-32)45-31-29(40)27(38)25(36)19(3)41-31/h19-22,25-32,36-40H,5-18H2,1-4H3,(H,33,34)/t19-,20-,21?,22?,25-,26-,27+,28+,29+,30+,31-,32-/m0/s1
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| InChIKey |
FCBUKWWQSZQDDI-SESCQDRSSA-N
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| CAS Number |
CAS 4348-76-9
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:62570
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | 5-HT 2B receptor (HTR2B) | Target Info | Antagonist | [1] |
| KEGG Pathway | Calcium signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Gap junction | ||||
| Serotonergic synapse | ||||
| Inflammatory mediator regulation of TRP channels | ||||
| Panther Pathway | 5HT2 type receptor mediated signaling pathway | |||
| Reactome | Serotonin receptors | |||
| G alpha (q) signalling events | ||||
| WikiPathways | Serotonin Receptor 2 and ELK-SRF/GATA4 signaling | |||
| Monoamine 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. (Target id: 7). | |||
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