Drug Information

Drug General Information
Drug ID
D0XS4X
Former ID
DIB015991
Drug Name
Ibodutant
Synonyms
MEN-15596; Tachykinin NK2 receptor antagonist (irritable bowel syndrome), Menarini
Drug Type
Small molecular drug
Indication Irritable bowel syndrome [ICD9: 564.1, 787.91; ICD10:A09, K58, K59.1] Phase 3 [525030], [539341]
Company
The Menarini Group
Structure
Download
2D MOL

3D MOL
Formula
C37H48N4O4S
InChI
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
InChIKey
YQYSVMKCMIUCHY-WJOKGBTCSA-N
CAS Number
CAS 522664-63-7
PubChem Compound ID
11527495
PubChem Substance ID
16629385, 23653802, 42645529, 50086935, 77474128, 103527226, 135263241, 135650578, 198986261, 226782865, 243721100
Target and Pathway
Target(s) NK-2 receptor Target Info Antagonist [532668]
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
Ref 525030ClinicalTrials.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 539341(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 532668Antagonist profile of ibodutant at the tachykinin NK2 receptor in guinea pig isolated bronchi. Eur J Pharmacol. 2013 Oct 24. pii: S0014-2999(13)00788-7.

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