Hydrazine sulfate (Predicted)

Basic Info

FADB-China IDP0903
Molecular NameHydrazine sulfate
Basis for prediction Ferrous sulfate
Similarity (based on Tanimoto coefficient and ECFP6 fingerprint)0.4000
Similarity (based on Tanimoto coefficient and Daylight fingerprint)0.9412
Similarity (based on MCS)0.6250
2D StructureNo image
SMILESNN.O=S(=O)(O)O
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+0.9022
Human Intestinal AbsorptionHIA+0.7327
Caco-2 PermeabilityCaco2-0.6371
P-glycoprotein SubstrateNon-substrate0.8792
P-glycoprotein InhibitorNon-inhibitor0.9579
Non-inhibitor0.9937
Renal Organic Cation TransporterNon-inhibitor0.9545
Distribution
Subcellular localizationMitochondria0.5493
Metabolism
CYP450 2C9 SubstrateNon-substrate0.8843
CYP450 2D6 SubstrateNon-substrate0.8183
CYP450 3A4 SubstrateNon-substrate0.7540
CYP450 1A2 InhibitorNon-inhibitor0.8379
CYP450 2C9 InhibitorNon-inhibitor0.8622
CYP450 2D6 InhibitorNon-inhibitor0.9130
CYP450 2C19 InhibitorNon-inhibitor0.8751
CYP450 3A4 InhibitorNon-inhibitor0.9597
CYP Inhibitory PromiscuityLow CYP Inhibitory Promiscuity0.9937
Excretion
Toxicity
Human Ether-a-go-go-Related Gene InhibitionWeak inhibitor0.9039
Non-inhibitor0.9422
AMES ToxicityNon AMES toxic0.6626
CarcinogensCarcinogens 0.8411
Fish ToxicityHigh FHMT0.5908
Tetrahymena Pyriformis ToxicityLow TPT0.7028
Honey Bee ToxicityHigh HBT0.5457
BiodegradationReady biodegradable0.6392
Acute Oral ToxicityIII0.6547
Carcinogenicity (Three-class)Non-required0.7055

ADMET -- Regression

Model Value Unit
Aqueous solubility-1.3881LogS
Caco-2 Permeability-0.3678LogPapp, cm/s
Rat Acute Toxicity1.9247LD50, mol/kg
Fish Toxicity1.7873pLC50, mg/L
Tetrahymena Pyriformis Toxicity-0.1008pIGC50, ug/L

References

TitleData Sources
Source HPV EPA Chemicals, ToxCast & Tox21 Chemicals
PubChem LinkURL Link