Uranium Carbide (Predicted)

Basic Info

FADB-China IDP0587
Molecular NameUranium Carbide
Basis for prediction Sulphur
Similarity (based on Tanimoto coefficient and ECFP6 fingerprint)0.0000
Similarity (based on Tanimoto coefficient and Daylight fingerprint)1.0000
Similarity (based on MCS)None
2D StructureNo image
SMILESC.[U]
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+0.9743
Human Intestinal AbsorptionHIA+0.9906
Caco-2 PermeabilityCaco2+0.7086
P-glycoprotein SubstrateNon-substrate0.8415
P-glycoprotein InhibitorNon-inhibitor0.9727
Non-inhibitor0.9836
Renal Organic Cation TransporterNon-inhibitor0.9154
Distribution
Subcellular localizationLysosome0.6296
Metabolism
CYP450 2C9 SubstrateNon-substrate0.7952
CYP450 2D6 SubstrateNon-substrate0.8412
CYP450 3A4 SubstrateNon-substrate0.7909
CYP450 1A2 InhibitorNon-inhibitor0.8906
CYP450 2C9 InhibitorNon-inhibitor0.9500
CYP450 2D6 InhibitorNon-inhibitor0.9695
CYP450 2C19 InhibitorNon-inhibitor0.9675
CYP450 3A4 InhibitorNon-inhibitor0.9845
CYP Inhibitory PromiscuityLow CYP Inhibitory Promiscuity0.9133
Excretion
Toxicity
Human Ether-a-go-go-Related Gene InhibitionWeak inhibitor0.9482
Non-inhibitor0.9717
AMES ToxicityNon AMES toxic0.9601
CarcinogensCarcinogens 0.6890
Fish ToxicityLow FHMT0.6099
Tetrahymena Pyriformis ToxicityLow TPT0.6878
Honey Bee ToxicityHigh HBT0.8156
BiodegradationReady biodegradable0.6368
Acute Oral ToxicityIII0.7121
Carcinogenicity (Three-class)Non-required0.5026

ADMET -- Regression

Model Value Unit
Aqueous solubility-1.0766LogS
Caco-2 Permeability1.5029LogPapp, cm/s
Rat Acute Toxicity1.6902LD50, mol/kg
Fish Toxicity2.1601pLC50, mg/L
Tetrahymena Pyriformis Toxicity-1.2296pIGC50, ug/L

References

TitleData Sources
Source FRCD, T3DB
PubChem LinkURL Link