General Information of Drug (ID: DMMOHUA)

Drug Name
Contezolid acefosamil
Synonyms
JANNTEAGZXJITO-BTQNPOSSSA-M; UNII-T79C086548; T79C086548; Contezolid acefosamil [USAN]; CHEMBL3989966; Acetic acid, anhydride with N-(((5R)-3-(4-(3,4-dihydro-4-oxo-1(2H)-pyridinyl)-2,3,5-trifluorophenyl)-2-oxo-5-oxazolidinyl)methyl)-N-3-isoxazolylphosphoramidic acid, sodium salt (1:1:1); Acetic (5R)-isoxazol-3yl((2-oxo-3-(2,3,5-trifluoro-4-(4-oxo-3,4-dihydropyridin-1(2H)-yl)phenyl)oxazolidin-5-yl)methyl)phosphoramidic anhydride, sodium salt (1:1); 1807365-35-0
Indication
Disease Entry ICD 11 Status REF
Acute bacterial skin infection 1C41 Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
2
Molecular Weight 552.3
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 14
Chemical Identifiers
Formula
C20H17F3N4NaO8P
IUPAC Name
sodium;acetyloxy-[1,2-oxazol-3-yl-[[(5R)-2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]phosphinate
Canonical SMILES
CC(=O)OP(=O)(N(C[C@H]1CN(C(=O)O1)C2=CC(=C(C(=C2F)F)N3CCC(=O)C=C3)F)C4=NOC=C4)[O-].[Na+]
InChI
InChI=1S/C20H18F3N4O8P.Na/c1-11(28)35-36(31,32)27(16-4-7-33-24-16)10-13-9-26(20(30)34-13)15-8-14(21)19(18(23)17(15)22)25-5-2-12(29)3-6-25;/h2,4-5,7-8,13H,3,6,9-10H2,1H3,(H,31,32);/q;+1/p-1/t13-;/m1./s1
InChIKey
JANNTEAGZXJITO-BTQNPOSSSA-M
Cross-matching ID
PubChem CID
131750213
CAS Number
1807365-35-0
TTD ID
D0BE0Z

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Protein synthesis (hPRO synth) TTLIZBJ NOUNIPROTAC Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)