Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0XS4X
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| Former ID |
DIB015991
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| Drug Name |
Ibodutant
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| Synonyms |
MEN-15596; Tachykinin NK2 receptor antagonist (irritable bowel syndrome), Menarini
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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] | Phase 3 | [1], [2] | |
| Company |
The Menarini Group
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| Structure |
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Download2D MOL |
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| Formula |
C37H48N4O4S
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| Canonical SMILES |
CC1=CC2=C(C=C1)C=C(S2)C(=O)NC3(CCCC3)C(=O)NC(CC4=CC=CC=C4)C(=O)NCC5CCN(CC5)CC6CCOCC6
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| InChI |
1S/C37H48N4O4S/c1-26-9-10-30-23-33(46-32(30)21-26)35(43)40-37(15-5-6-16-37)36(44)39-31(22-27-7-3-2-4-8-27)34(42)38-24-28-11-17-41(18-12-28)25-29-13-19-45-20-14-29/h2-4,7-10,21,23,28-29,31H,5-6,11-20,22,24-25H2,1H3,(H,38,42)(H,39,44)(H,40,43)/t31-/m1/s1
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| InChIKey |
YQYSVMKCMIUCHY-WJOKGBTCSA-N
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| CAS Number |
CAS 522664-63-7
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Substance-K receptor (TACR2) | Target Info | Antagonist | [3] |
| 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: 2117). | |||
| REF 2 | ClinicalTrials.gov (NCT02320318) 12-Week Efficacy and Safety Study of Ibodutant in Women With Irritable Bowel Syndrome With Diarrhea (IBS-D). U.S. National Institutes of Health. | |||
| REF 3 | Antagonist profile of ibodutant at the tachykinin NK2 receptor in guinea pig isolated bronchi. Eur J Pharmacol. 2013 Nov 15;720(1-3):180-5. | |||
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