Details of the Drug

General Information of Drug (ID: DMKRT20)

• Drug Name: Degraded Cephaloridine
• Synonyms: DEGRADED CEPHALORIDINE; 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID; 4ivk; AC1NRAIF; DB04133; FT-0771180; (2R)-5-methyl-2-[(1R)-2-oxo-1-[2-(thiophen-2-yl)acetamido]ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid; (2R)-5-methyl-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid; (2R)-5-methyl-2-[(1R)-2-oxo-1-[(2-thiophen-2-ylacetyl)amino]ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 340.4
  Logarithm of the Partition Coefficient (xlogp); 1
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C14H16N2O4S2
  IUPAC Name: (2R)-5-methyl-2-[(1R)-2-oxo-1-[(2-thiophen-2-ylacetyl)amino]ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
  Canonical SMILES: CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)CC2=CC=CS2)C(=O)O
  InChI: InChI=1S/C14H16N2O4S2/c1-8-7-22-13(16-12(8)14(19)20)10(6-17)15-11(18)5-9-3-2-4-21-9/h2-4,6,10,13,16H,5,7H2,1H3,(H,15,18)(H,19,20)/t10-,13-/m1/s1
  InChIKey: SFVACKBZMIZHCK-ZWNOBZJWSA-N
• Cross-matching ID:
  PubChem CID: 5287902
  DrugBank ID: DB04133
  TTD ID: D06OGZ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Staphylococcus Beta-lactamase (Stap-coc blaZ)	TTHI19T	BLAC_STAAU	Inhibitor	[1]

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.