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TTD Drug ID: DCL000894

Drug Information
NameNepadutant
SynonymsNepadutant; Cyclo(N-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-L-asparaginyl-L-alpha-aspartyl-L-tryptophyl-L-phenylalanyl-L-2,3-diaminopropionyl-L-leucyl),cyclic(2-5)-peptide; LS-55819; MEN 11420; MEN-11,420; cyclo(Asn(2-deoxy-2-AcNH-beta-D-Glc)-Asp-Trp-Phe-Dap-Leu)cyclo(2beta,5beta); C107754; (2S)-2-[[(3S,6S,9S,12S)-12-[[(2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-2-amino-4-oxobutanoyl]amino]-6-benzyl-9-(1H-indol-3-ylmethyl)-5,8,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradecane-3-carbonyl]amino]-4-methylpentanoic acid; Cyclo(N-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-L-asparginyl-L-alpha-aspartyl-L-tryptophyl-L-phenylalanyl-L-2,3-diaminopropionyl-L-leucyl), cyclic(2-5)-peptide; AC1MJ6M2; 183747-35-5; Nepadutant [INN]; CID3086682
CompanyMenarini
IndicationInfantile colics; Postoperative ileus
[ICD9: 537.2, 560.1, 560.31, 777.1, 777.4, 789.7   ICD10: K31.5, K56.0, K56.3, K56.7, P76.1, R10.4]
Phase I/II    [1]
Structure

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InChI1S/C45H60N10O14/c1-21(2)13-31(45(67)68)53-43(66)32-19-48-34(58)17
-30(50-39(62)26(46)16-35(59)55-44-36(49-22(3)57)38(61)37(60)33(20
-56)69-44)42(65)52-29(15-24-18-47-27-12-8-7-11-25(24)27)41(64)51-
28(40(63)54-32)14-23-9-5-4-6-10-23/h4-12,18,21,26,28-33,36-38,44,
47,56,60-61H,13-17,19-20,46H2,1-3H3,(H,48,58)(H,49,57)(H,50,62)(H
,51,64)(H,52,65)(H,53,66)(H,54,63)(H,55,59)(H,67,68)/t26-,28-,29-
,30-,31-,32-,33+,36+,37+,38+,44+/m0/s1
InChIKeyNPSVXOVMLVOMDD-SXRVEDALSA-N
Canonical SMILESCC(C)CC(C(=O)O)NC(=O)C1CNC(=O)CC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=CC=C2)
CC3=CNC4=CC=CC=C43)NC(=O)C(CC(=O)NC5C(C(C(C(O5)CO)O)O)NC(=O)C)N    
Isomeric SMILESCC(C)C[C@@H](C(=O)O)NC(=O)[C@@H]1CNC(=O)C[C@@H](C(=O)N[C@H](C(=O)N[C@H]
(C(=O)N1)CC2=CC=CC=C2)CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC(=O)N[C@H]5[C@@H]
([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)N
CAS NumberCAS 183747-35-5
PubChem Compound IDCID 3086682.
PubChem Substance IDSID 3889604.
ClinicalTrials.govNCT00655083;
TargetSubstance-K receptorAntagonist[1]
Ref 1Emerging drugs for postoperative ileus. Expert Opin Emerg Drugs. 2007 Nov;12(4):619-26. To Reference



 

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