Details of the Drug

General Information of Drug (ID: DMKBTFG)

Drug Name
Cefozopran
Synonyms
CZOP; Cefozopran [INN]; SCE 2787; Cefozopran (INN); (-)-1-(((6R,7R)-7-(2-(5-Amino-1,2,4-thiadiazol-3-yl)glyoxylamido)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-1H-imidazo(1,2-b)pyridazin-4-ium hydroxide inner salt, 7(sup 2)-(Z)-(O-methyloxime); Imidazo(1,2-b)pyridazinium, 1-((6R,7R)-7-(((2Z)-(5-amino-1,2,4-thiadiazol-3-yl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-, inner salt
Indication
Disease Entry ICD 11 Status REF
Gram-positive bacterial infection 1B74-1G40 Approved [1]
ATC Code
J01DE03: Cefozopran
J01DE: Fourth-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): 2 Molecular Weight (mw) 515.5
Logarithm of the Partition Coefficient (xlogp) 0.7
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 12
ADMET Property
Clearance
The drug present in the plasma can be removed from the body at the rate of 2.1 mL/min/kg [2]
Half-life
The concentration or amount of drug in body reduced by one-half in 1.7 hours [2]
Unbound Fraction
The unbound fraction of drug in plasma is 0.74% [2]
Vd
Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 0.24 L/kg [2]
Chemical Identifiers
Formula
C19H17N9O5S2
IUPAC Name
(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Canonical SMILES
CO/N=C(/C1=NSC(=N1)N)\\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=C5C=CC=NN5C=C4)C(=O)[O-]
InChI
InChI=1S/C19H17N9O5S2/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27/h2-6,12,17H,7-8H2,1H3,(H3-,20,22,23,25,29,31,32)/b24-11-/t12-,17-/m1/s1
InChIKey
QDUIJCOKQCCXQY-WHJQOFBOSA-N
Cross-matching ID
PubChem CID
9571080
ChEBI ID
CHEMBL3502
CAS Number
113359-04-9
UNII
1LG87K28LW
DrugBank ID
DB13667
TTD ID
D0B5FZ
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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 Dihydropteroate synthetase (Bact folP) TT4ILYC DHPS_ECOLI Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Emerging drugs for bacterial urinary tract infections. Expert Opin Emerg Drugs. 2005 May;10(2):275-98.
2 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds