Drug Information

Drug General Information
Drug ID
D0S6JV
Former ID
DCL000894
Drug Name
Nepadutant
Synonyms
Nepadutant [INN]; MEN 11420; MEN-11,420; Cyclo(Asn(2-deoxy-2-AcNH-beta-D-Glc)-Asp-Trp-Phe-Dap-Leu)cyclo(2beta,5beta); 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; 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
Drug Type
Small molecular drug
Indication Infantile 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 1/2 [536527], [539347]
Company
Menarini
Structure
Download
2D MOL

3D MOL
Formula
C45H60N10O14
InChI
InChI=1S/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
InChIKey
NPSVXOVMLVOMDD-SXRVEDALSA-N
CAS Number
CAS 183747-35-5
PubChem Compound ID
3086682
PubChem Substance ID
36416410, 49956879, 53352743, 53787554, 57356035, 111695391, 134339346, 134339951, 135652323, 137267757, 227838634
Target and Pathway
Target(s) NK-2 receptor Target Info Antagonist [536527]
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 536527Emerging drugs for postoperative ileus. Expert Opin Emerg Drugs. 2007 Nov;12(4):619-26.
Ref 539347(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: 2123).
Ref 536527Emerging drugs for postoperative ileus. Expert Opin Emerg Drugs. 2007 Nov;12(4):619-26.

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