Details of the Drug

General Information of Drug (ID: DMWH92F)

• Drug Name: Hydrolyzed Cephalothin
• Synonyms: HYDROLYZED CEPHALOTHIN; 2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYL-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID; AC1NRBVK; DB02247; (2S)-2-[(R)-carboxy[2-(thiophen-2-yl)acetamido]methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid; (2S)-2-[(1R)-2-hydroxy-2-oxo-1-[(2-thiophen-2-ylacetyl)amino]ethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid; (2S)-2-{(R)-carboxy[(thiophen-2-ylacetyl)amino]methyl}-5-methyl-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); 356.4
  Logarithm of the Partition Coefficient (xlogp); 1.1
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C14H16N2O5S2
  IUPAC Name: (2S)-2-[(R)-carboxy-[(2-thiophen-2-ylacetyl)amino]methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
  Canonical SMILES: CC1=C(N[C@@H](SC1)[C@@H](C(=O)O)NC(=O)CC2=CC=CS2)C(=O)O
  InChI: InChI=1S/C14H16N2O5S2/c1-7-6-23-12(16-10(7)13(18)19)11(14(20)21)15-9(17)5-8-3-2-4-22-8/h2-4,11-12,16H,5-6H2,1H3,(H,15,17)(H,18,19)(H,20,21)/t11-,12-/m0/s1
  InChIKey: JRYZEMHNDUZNMI-RYUDHWBXSA-N
• Cross-matching ID:
  PubChem CID: 5288660
  DrugBank ID: DB02247
  TTD ID: D06CUF

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.