| Stereochemistry | ABSOLUTE |
| Molecular Formula | C37H48N4O4S |
| Molecular Weight | 644.866 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC2=C(C=C(S2)C(=O)NC3(CCCC3)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)NCC5CCN(CC6CCOCC6)CC5)C=C1
InChI
InChIKey=YQYSVMKCMIUCHY-WJOKGBTCSA-N
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
Menarini was developing ibodutant (also known as MEN15596) as a selective neurokinin (NK) 2 and tachykinin receptor antagonist. It is known that tachykinins have been implicated in the pathophysiology of irritable bowel syndrome (IBS) with diarrhoea. Ibodutant was studied as a treatment for gastrointestinal disorders. A phase 2 trial completed in May 2012 with positive results. Ibodutant participated in a 52-week phase 3 in women with IBS with diarrhea, however, the study was terminated because of the negative results of the sister study NAK-06 and the low overall response rate at week 24.
Originator
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
PubMed
Patents
ACTIVE MOIETY
