Details of the Drug

General Information of Drug (ID: DMRSZA5)

Drug Name
Cefacetrile
Synonyms
Cefacetril; Cefacetrilo; Cefacetrilum; Celospor; Cephacetrile; Vetrimast [veterinary]; Cefacetrile (INN); Cefacetrilo [INN-Spanish]; Cefacetrilum [INN-Latin]; Celospor (TN); Celtol (TN); Cristacef (TN); Vetrimast [veterinary] (TN); C-36278-Ba; (6R,7R)-3-(acetyloxymethyl)-7-[(2-cyanoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-3-Acetoxymethyl-7-(2-cyanacetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carbonsaeure; (6R,7R)-3-[(acetyloxy)methyl]-7-[(cyanoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7-(2-Cyanacetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carboxylat acetat (ester); 7-Cyanacetylamino-cephalosporansaeure
Indication
Disease Entry ICD 11 Status REF
Bacterial infection 1A00-1C4Z Approved [1]
Therapeutic Class
Antibiotics
Affected Organisms
Enteric bacteria and other eubacteria
ATC Code
J01DB10: Cefacetrile
J01DB: First-generation cephalosporins
J01D: OTHER BETA-LACTAM ANTIBACTERIALS
J01: ANTIBACTERIALS FOR SYSTEMIC USE
J: ANTIINFECTIVES FOR SYSTEMIC USE
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 339.33
Logarithm of the Partition Coefficient (xlogp) -0.5
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 8
ADMET Property
Clearance
The drug present in the plasma can be removed from the body at the rate of 3.69 mL/min/kg [2]
Half-life
The concentration or amount of drug in body reduced by one-half in 1.2 hours [2]
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 505.1972 micromolar/kg/day [3]
Vd
The volume of distribution (Vd) of drug is 0.2-0.5 L/kg []
Chemical Identifiers
Formula
C13H13N3O6S
IUPAC Name
(6R,7R)-3-(acetyloxymethyl)-7-[(2-cyanoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Canonical SMILES
CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC#N)SC1)C(=O)O
InChI
InChI=1S/C13H13N3O6S/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21)/t9-,12-/m1/s1
InChIKey
RRYMAQUWDLIUPV-BXKDBHETSA-N
Cross-matching ID
PubChem CID
91562
ChEBI ID
CHEMBL135437
CAS Number
10206-21-0
UNII
FDM21QQ344
DrugBank ID
DB01414
TTD ID
D01ZEC
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial Penicillin binding protein (Bact PBP) TTJP4SM NOUNIPROTAC Binder [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drug information of Cefacetrile, 2008. eduDrugs.
2 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3 Estimating the safe starting dose in phase I clinical trials and no observed effect level based on QSAR modeling of the human maximum recommended daily dose
4 Single dose 1 g ceftriaxone for urogenital and pharyngeal infection caused by Neisseria gonorrhoeae. Int J Urol. 2008 Sep;15(9):837-42.