Prochlorperazine (Predicted)

Basic Info

FADB-China IDP1839
Molecular NameProchlorperazine
Basis for prediction Chlorpromazine
Similarity (based on Tanimoto coefficient and ECFP6 fingerprint)0.7602
Similarity (based on Tanimoto coefficient and Daylight fingerprint)0.9481
Similarity (based on MCS)0.7037
2D StructureNo image
SMILESCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
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+0.9781
Human Intestinal AbsorptionHIA+0.9821
Caco-2 PermeabilityCaco2+0.7729
P-glycoprotein SubstrateSubstrate0.8537
P-glycoprotein InhibitorInhibitor0.8170
Inhibitor0.8577
Renal Organic Cation TransporterInhibitor0.7615
Distribution
Subcellular localizationLysosome0.6982
Metabolism
CYP450 2C9 SubstrateNon-substrate0.7702
CYP450 2D6 SubstrateNon-substrate0.5179
CYP450 3A4 SubstrateNon-substrate0.5346
CYP450 1A2 InhibitorInhibitor0.9376
CYP450 2C9 InhibitorNon-inhibitor0.9070
CYP450 2D6 InhibitorInhibitor0.9723
CYP450 2C19 InhibitorInhibitor0.8994
CYP450 3A4 InhibitorNon-inhibitor0.7676
CYP Inhibitory PromiscuityHigh CYP Inhibitory Promiscuity0.8557
Excretion
Toxicity
Human Ether-a-go-go-Related Gene InhibitionWeak inhibitor0.8165
Inhibitor0.7860
AMES ToxicityNon AMES toxic0.8999
CarcinogensNon-carcinogens0.9456
Fish ToxicityHigh FHMT0.9874
Tetrahymena Pyriformis ToxicityHigh TPT0.9869
Honey Bee ToxicityLow HBT0.8342
BiodegradationNot ready biodegradable1.0000
Acute Oral ToxicityIII0.8102
Carcinogenicity (Three-class)Non-required0.7225

ADMET -- Regression

Model Value Unit
Aqueous solubility-4.4626LogS
Caco-2 Permeability1.1561LogPapp, cm/s
Rat Acute Toxicity2.3496LD50, mol/kg
Fish Toxicity1.5046pLC50, mg/L
Tetrahymena Pyriformis Toxicity1.0180pIGC50, ug/L

References

TitleData Sources
Source DrugBank, , T3DB
PubChem LinkURL Link