Details of the Drug
General Information of Drug (ID: DMQ08AJ)
Drug Name |
Edotreotide
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Synonyms |
Edotreotide; SMT-487; UNII-U194AS08HZ; 204318-14-9; U194AS08HZ; CHEMBL408350; DOTATOC; DOTA-D-PHE-CYS-TYR-D-TRP-LYS-THR-CYS-THR-OL (DISULFIDE BRIDGE: 2-7); SMT 487; Edotreotide [USAN:INN]; DOTA-TOC acetate; AC1L4KLV; SCHEMBL1649285; SCHEMBL19712197; RZHKDBRREKOZEW-AAXZNHDCSA-N; BDBM50165171; N-((4,7,10-Tris(carboxymethyl)-1,4,7,10-tetraazacycoldodec-1-yl)acetyl-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryprophyl-L-lysyl-L-threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L-cysteinamide cyclic (2-7)-disulfide
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Indication |
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Structure | |||||||||||||||||||||||
3D MOL | 2D MOL | ||||||||||||||||||||||
#Ro5 Violations (Lipinski): 5 | Molecular Weight (mw) | 1421.6 | |||||||||||||||||||||
Logarithm of the Partition Coefficient (xlogp) | -7.2 | ||||||||||||||||||||||
Rotatable Bond Count (rotbonds) | 26 | ||||||||||||||||||||||
Hydrogen Bond Donor Count (hbonddonor) | 17 | ||||||||||||||||||||||
Hydrogen Bond Acceptor Count (hbondacc) | 25 | ||||||||||||||||||||||
Chemical Identifiers |
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Cross-matching ID | |||||||||||||||||||||||
Molecular Interaction Atlas of This Drug
Drug Therapeutic Target (DTT) |
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Drug Off-Target (DOT) |
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Molecular Interaction Atlas (MIA) | |||||||||||||||||||||||||||
References