Details of the Drug
General Information of Drug (ID: DMPMF6L)
Drug Name |
Nepadutant
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Synonyms |
MEN 11420; LS-55819; AC1MJ6M2; SCHEMBL1649325; GTPL2123; 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; (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; Nepadutant [INN]; 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
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Indication |
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Drug Type |
Small molecular drug
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Structure | |||||||||||||||||||||||||||
3D MOL | 2D MOL | ||||||||||||||||||||||||||
#Ro5 Violations (Lipinski): 5 | Molecular Weight (mw) | 965 | |||||||||||||||||||||||||
Logarithm of the Partition Coefficient (xlogp) | -4 | ||||||||||||||||||||||||||
Rotatable Bond Count (rotbonds) | 16 | ||||||||||||||||||||||||||
Hydrogen Bond Donor Count (hbonddonor) | 14 | ||||||||||||||||||||||||||
Hydrogen Bond Acceptor Count (hbondacc) | 15 | ||||||||||||||||||||||||||
Chemical Identifiers |
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Cross-matching ID | |||||||||||||||||||||||||||
Repurposed Drugs (RPD) | Click to Jump to the Detailed RPD Information of This Drug | ||||||||||||||||||||||||||
Molecular Interaction Atlas of This Drug
Drug Therapeutic Target (DTT) |
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Molecular Interaction Atlas (MIA) | |||||||||||||||||||||||||||
Molecular Expression Atlas of This Drug
The Studied Disease | Infantile colics | |||||||||||||||||||||||
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ICD Disease Classification | DD93.1 | |||||||||||||||||||||||
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Molecular Expression Atlas (MEA) | ||||||||||||||||||||||||
References