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
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
CHEBI:63214
CAS Number
69739-16-8
DrugBank ID
DB13470
VARIDT ID
DR01316

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.