Lomefloxacin (Predicted)

Basic Info

FADB-China IDP2070
Molecular NameLomefloxacin
Basis for prediction Perfloxacin
Similarity (based on Tanimoto coefficient and ECFP6 fingerprint)0.5399
Similarity (based on Tanimoto coefficient and Daylight fingerprint)0.8576
Similarity (based on MCS)0.8846
2D StructureNo image
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21
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-0.9856
Human Intestinal AbsorptionHIA+0.9919
Caco-2 PermeabilityCaco2-0.5416
P-glycoprotein SubstrateSubstrate0.8953
P-glycoprotein InhibitorNon-inhibitor0.8699
Non-inhibitor0.8383
Renal Organic Cation TransporterNon-inhibitor0.7933
Distribution
Subcellular localizationLysosome0.6388
Metabolism
CYP450 2C9 SubstrateNon-substrate0.8591
CYP450 2D6 SubstrateNon-substrate0.9116
CYP450 3A4 SubstrateNon-substrate0.7284
CYP450 1A2 InhibitorNon-inhibitor0.9046
CYP450 2C9 InhibitorNon-inhibitor0.9330
CYP450 2D6 InhibitorNon-inhibitor0.9230
CYP450 2C19 InhibitorNon-inhibitor0.9025
CYP450 3A4 InhibitorNon-inhibitor0.8497
CYP Inhibitory PromiscuityLow CYP Inhibitory Promiscuity0.6283
Excretion
Toxicity
Human Ether-a-go-go-Related Gene InhibitionWeak inhibitor0.8282
Non-inhibitor0.6392
AMES ToxicityAMES toxic0.9107
CarcinogensNon-carcinogens0.7701
Fish ToxicityHigh FHMT0.9990
Tetrahymena Pyriformis ToxicityHigh TPT0.9774
Honey Bee ToxicityLow HBT0.8868
BiodegradationNot ready biodegradable1.0000
Acute Oral ToxicityIII0.7797
Carcinogenicity (Three-class)Non-required0.6142

ADMET -- Regression

Model Value Unit
Aqueous solubility-3.7658LogS
Caco-2 Permeability0.6828LogPapp, cm/s
Rat Acute Toxicity1.9971LD50, mol/kg
Fish Toxicity1.2174pLC50, mg/L
Tetrahymena Pyriformis Toxicity0.6445pIGC50, ug/L

References

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