Norfloxacin (Predicted)

Basic Info

FADB-China IDP2072
Molecular NameNorfloxacin
Basis for prediction Perfloxacin
Similarity (based on Tanimoto coefficient and ECFP6 fingerprint)0.8228
Similarity (based on Tanimoto coefficient and Daylight fingerprint)0.9887
Similarity (based on MCS)0.9583
2D StructureNo image
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21
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-0.9824
Human Intestinal AbsorptionHIA+0.9916
Caco-2 PermeabilityCaco2-0.8683
P-glycoprotein SubstrateSubstrate0.8554
P-glycoprotein InhibitorNon-inhibitor0.8490
Non-inhibitor0.8657
Renal Organic Cation TransporterNon-inhibitor0.7588
Distribution
Subcellular localizationLysosome0.4392
Metabolism
CYP450 2C9 SubstrateNon-substrate0.8301
CYP450 2D6 SubstrateNon-substrate0.9116
CYP450 3A4 SubstrateNon-substrate0.7558
CYP450 1A2 InhibitorNon-inhibitor0.9046
CYP450 2C9 InhibitorNon-inhibitor0.9268
CYP450 2D6 InhibitorNon-inhibitor0.9231
CYP450 2C19 InhibitorNon-inhibitor0.9148
CYP450 3A4 InhibitorNon-inhibitor0.8988
CYP Inhibitory PromiscuityHigh CYP Inhibitory Promiscuity0.5702
Excretion
Toxicity
Human Ether-a-go-go-Related Gene InhibitionWeak inhibitor0.7034
Non-inhibitor0.5292
AMES ToxicityAMES toxic0.9108
CarcinogensNon-carcinogens0.7923
Fish ToxicityHigh FHMT0.9968
Tetrahymena Pyriformis ToxicityHigh TPT0.9289
Honey Bee ToxicityLow HBT0.8969
BiodegradationNot ready biodegradable1.0000
Acute Oral ToxicityIII0.7846
Carcinogenicity (Three-class)Non-required0.6040

ADMET -- Regression

Model Value Unit
Aqueous solubility-3.6659LogS
Caco-2 Permeability0.7124LogPapp, cm/s
Rat Acute Toxicity1.8785LD50, mol/kg
Fish Toxicity1.3230pLC50, mg/L
Tetrahymena Pyriformis Toxicity0.5348pIGC50, ug/L

References

TitleData Sources
Source DrugBank, CAC Veterinary Drug, ToxCast & Tox21 Chemicals
PubChem LinkURL Link