Details of the Drug
General Information of Drug (ID: DMS61DB)
Drug Name |
KNI-227
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Synonyms |
Kynostatin 227; Kni-227; Kynostatin-227; 147384-69-8; CHEMBL231622; KYNOSTATIN; Qoa-Mta-Apns-Thz-NH-tBu; AC1L22EK; AC1Q5L2G; BDBM719; SCHEMBL2772022; DTXSID30163692; N-(1,1-Dimethylethyl)-3-[2-hydroxy-3-[[2-[[(5-isoquinolinyloxy)acetyl]amino]-3-methylthio)-1-oxopropyl]amino]-1-oxo-4-phenylbutyl]-5,5-dimethyl]-4-thiazolidinecarboxamide,[4R-[3[2S*,3S*(R*)],4R*]]; (4R)-N-tert-Butyl-3-[(2S,3S)-2-hydroxy-3-[S-methyl-N-(5-isoquinolinyloxyacetyl)-L-cysteinylamino]-4-phenylbutyryl]-5,5-dimethylthiazolidine-4alpha-carboxamide
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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): 2 | Molecular Weight (mw) | 695.9 | |||||||||||||||||||||
Logarithm of the Partition Coefficient (xlogp) | 3.9 | ||||||||||||||||||||||
Rotatable Bond Count (rotbonds) | 14 | ||||||||||||||||||||||
Hydrogen Bond Donor Count (hbonddonor) | 4 | ||||||||||||||||||||||
Hydrogen Bond Acceptor Count (hbondacc) | 9 | ||||||||||||||||||||||
Chemical Identifiers |
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Cross-matching ID | |||||||||||||||||||||||
Molecular Interaction Atlas of This Drug
Drug Therapeutic Target (DTT) |
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Molecular Interaction Atlas (MIA) | |||||||||||||||||||||||||||