Cefpodoxime (Predicted)

Basic Info

FADB-China IDP2208
Molecular NameCefpodoxime
Basis for prediction Ceftiofur
Similarity (based on Tanimoto coefficient and ECFP6 fingerprint)0.7751
Similarity (based on Tanimoto coefficient and Daylight fingerprint)0.8917
Similarity (based on MCS)0.7222
2D StructureNo image
SMILESCOCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NOC)c3csc(N)n3)C2SC1
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-0.9840
Human Intestinal AbsorptionHIA+0.5556
Caco-2 PermeabilityCaco2-0.7549
P-glycoprotein SubstrateSubstrate0.7587
P-glycoprotein InhibitorNon-inhibitor0.8753
Inhibitor0.6389
Renal Organic Cation TransporterNon-inhibitor0.8645
Distribution
Subcellular localizationLysosome0.3858
Metabolism
CYP450 2C9 SubstrateNon-substrate0.8729
CYP450 2D6 SubstrateNon-substrate0.8183
CYP450 3A4 SubstrateSubstrate0.5350
CYP450 1A2 InhibitorNon-inhibitor0.7905
CYP450 2C9 InhibitorNon-inhibitor0.8017
CYP450 2D6 InhibitorNon-inhibitor0.8895
CYP450 2C19 InhibitorNon-inhibitor0.7558
CYP450 3A4 InhibitorNon-inhibitor0.7875
CYP Inhibitory PromiscuityLow CYP Inhibitory Promiscuity0.9144
Excretion
Toxicity
Human Ether-a-go-go-Related Gene InhibitionWeak inhibitor0.9764
Non-inhibitor0.8162
AMES ToxicityNon AMES toxic0.8249
CarcinogensNon-carcinogens0.8656
Fish ToxicityHigh FHMT0.9095
Tetrahymena Pyriformis ToxicityHigh TPT0.9161
Honey Bee ToxicityLow HBT0.6130
BiodegradationNot ready biodegradable0.9863
Acute Oral ToxicityIII0.5699
Carcinogenicity (Three-class)Non-required0.5183

ADMET -- Regression

Model Value Unit
Aqueous solubility-2.8039LogS
Caco-2 Permeability-0.1739LogPapp, cm/s
Rat Acute Toxicity1.9732LD50, mol/kg
Fish Toxicity1.3241pLC50, mg/L
Tetrahymena Pyriformis Toxicity0.5300pIGC50, ug/L

References

TitleData Sources
Source DrugBank, CAC Veterinary Drug
PubChem LinkURL Link