Details of the Drug
General Information of Drug (ID: DMQZ5HF)
Drug Name |
KNI-272
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Synonyms |
NSC651714; NSC-651714; AC1Q5L2H; (4r)-n-tert-butyl-3-[2-hydroxy-3-({n-[(isoquinolin-5-yloxy)acetyl]-s-methyl-l-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide; AC1L88B1; KNI 272; 3-(3,4-Dimethoxyphenyl)propionamide; NCI60_018063; 4-Thiazolidinecarboxamide,1-dimethylethyl)-3- [2-hydroxy-3-[[2-[[(5-isoquinolinyloxy)acetyl]amino]-3- (methylthio)-1-oxopropyl]amino]-1-oxo-4-phenylbutyl]-,[4R-[3[2S*,3S*(R*)],4R*]]
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Indication |
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Drug Type |
Small molecular drug
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Structure | |||||||||||||||||||||||
3D MOL is unavailable | 2D MOL | ||||||||||||||||||||||
#Ro5 Violations (Lipinski): 2 | Molecular Weight (mw) | 667.8 | |||||||||||||||||||||
Logarithm of the Partition Coefficient (xlogp) | 3.2 | ||||||||||||||||||||||
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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Drug-Metabolizing Enzyme (DME) |
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Molecular Interaction Atlas (MIA) | |||||||||||||||||||||||||||
References