Details of the Drug

General Information of Drug (ID: DMORSGU)

Drug Name
Cefodizime
Synonyms
AC1NSFIB; CDZM; CHEBI:63214; CHEMBL2303613; Cefodizima; Cefodizima [INN-Spanish]; Cefodizime; Cefodizime (INN); Cefodizime Acid; Cefodizime [INN:BAN]; Cefodizimum; Cefodizimum [INN-Latin]; Cefodizme; DTXSID2022757; Diezime; EC 700-301-3; EX-A1379; HR 221 [AS SODIUM]; HR-221; HR-221 [As Sodium]; J-700161; Modivid; Neucef; S-771221B [As Sodium]; SCHEMBL151101; THR 221 [AS SODIUM]; THR-221; THR-221 [As Sodium]; Timecef; UNII-Z31298J4HQ; Z31298J4HQ
Therapeutic Class
Anti-Bacterial Agents
ATC Code
J01DD09: Cefodizime
J01DD: Third-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) 584.655
Logarithm of the Partition Coefficient (xlogp) 0.2
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 15
ADMET Property
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 3: high solubility and low permeability [1]
Clearance
The drug present in the plasma can be removed from the body at the rate of 0.61 mL/min/kg [2]
Elimination
80% of drug is excreted from urine in the unchanged form [1]
Half-life
The concentration or amount of drug in body reduced by one-half in 4.2 hours [2]
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 56.95478 micromolar/kg/day [3]
Unbound Fraction
The unbound fraction of drug in plasma is 0.18% [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 0.054 L/kg [2]
Water Solubility
The ability of drug to dissolve in water is measured as 270 mg/mL [1]
Chemical Identifiers
Formula
C20H20N6O7S4
IUPAC Name
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Canonical SMILES
CC1=C(SC(=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O)CC(=O)O
InChI
InChI=1S/C20H20N6O7S4/c1-7-10(3-11(27)28)37-20(22-7)36-5-8-4-34-17-13(16(30)26(17)14(8)18(31)32)24-15(29)12(25-33-2)9-6-35-19(21)23-9/h6,13,17H,3-5H2,1-2H3,(H2,21,23)(H,24,29)(H,27,28)(H,31,32)/b25-12-/t13-,17-/m1/s1
InChIKey
XDZKBRJLTGRPSS-BGZQYGJUSA-N
Cross-matching ID
PubChem CID
5361871
ChEBI ID
CHEMBL2303613
CAS Number
69739-16-8
UNII
Z31298J4HQ
DrugBank ID
DB13470
VARIDT ID
DR01316
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Multidrug resistance-associated protein 2 (ABCC2) DTFI42L MRP2_HUMAN Substrate [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 BDDCS applied to over 900 drugs
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 Mammalian drug efflux transporters of the ATP binding cassette (ABC) family in multidrug resistance: A review of the past decade. Cancer Lett. 2016 Jan 1;370(1):153-64.