Ceftizoxime (Predicted)

Basic Info

FADB-China IDP2203
Molecular NameCeftizoxime
Basis for prediction Ceftiofur
Similarity (based on Tanimoto coefficient and ECFP6 fingerprint)0.6800
Similarity (based on Tanimoto coefficient and Daylight fingerprint)0.8857
Similarity (based on MCS)0.7353
2D StructureNo image
SMILESCON=C(C(=O)NC1C(=O)N2C(C(=O)O)=CCSC12)c1csc(N)n1
CFM-ID 3.0 (Copy SMILES to the website's input box)URL Link
Update DateJul 30, 2019 14:16

ADMET

Model Result Probability
Absorption
Blood-Brain BarrierBBB-0.9823
Human Intestinal AbsorptionHIA+0.7379
Caco-2 PermeabilityCaco2-0.7273
P-glycoprotein SubstrateSubstrate0.5819
P-glycoprotein InhibitorNon-inhibitor0.9194
Non-inhibitor0.8007
Renal Organic Cation TransporterNon-inhibitor0.8794
Distribution
Subcellular localizationMitochondria0.3655
Metabolism
CYP450 2C9 SubstrateNon-substrate0.8040
CYP450 2D6 SubstrateNon-substrate0.8281
CYP450 3A4 SubstrateNon-substrate0.5393
CYP450 1A2 InhibitorNon-inhibitor0.7490
CYP450 2C9 InhibitorNon-inhibitor0.8202
CYP450 2D6 InhibitorNon-inhibitor0.9005
CYP450 2C19 InhibitorNon-inhibitor0.7881
CYP450 3A4 InhibitorNon-inhibitor0.7951
CYP Inhibitory PromiscuityLow CYP Inhibitory Promiscuity0.9449
Excretion
Toxicity
Human Ether-a-go-go-Related Gene InhibitionWeak inhibitor0.9903
Non-inhibitor0.9180
AMES ToxicityNon AMES toxic0.7835
CarcinogensNon-carcinogens0.8563
Fish ToxicityHigh FHMT0.9169
Tetrahymena Pyriformis ToxicityHigh TPT0.9406
Honey Bee ToxicityLow HBT0.6482
BiodegradationNot ready biodegradable0.9906
Acute Oral ToxicityIV0.5401
Carcinogenicity (Three-class)Non-required0.5262

ADMET -- Regression

Model Value Unit
Aqueous solubility-2.7033LogS
Caco-2 Permeability0.0376LogPapp, cm/s
Rat Acute Toxicity1.8332LD50, mol/kg
Fish Toxicity1.4068pLC50, mg/L
Tetrahymena Pyriformis Toxicity0.5241pIGC50, ug/L

References

TitleData Sources
Source DrugBank, CAC Veterinary Drug,
PubChem LinkURL Link