Details of the Drug ADMET Endpoint

General Information of Drug (ID: DMMWZET)

Drug Name
Dexamethasone
Synonyms
Adexone; Anaflogistico; Aphtasolon; Aphthasolone; Auxiron; Azium; Calonat; Corson; Corsone; Cortisumman; DXM; Decacort; Decacortin; Decaderm; Decadron; Decagel; Decaject; Decalix; Decameth; Decasone; Decaspray; Dectancyl; Dekacort; Deltafluorene; Dergramin; Deronil; Desadrene; Desametasone; Desamethasone; Desameton; Deseronil; Dexacort; Dexacortal; Dexacortin; Dexadeltone; Dexafarma; Dexair; Dexalona; Dexaltin; Dexametasona; Dexameth; Dexamethansone; Dexamethasonum; Dexamethazone; Dexamonozon; Dexapolcort; Dexaprol; Dexason; Dexasone; Dexinolon; Dexinoral; Dexone; Dexonium; Dexpak; Dextelan; Dezone; Dinormon; Dxms; Fluormethylprednisolone; Fluormone; Fluorocort; Fortecortin; Gammacorten; Hexadecadrol; Hexadrol; IontoDex; Loverine; Luxazone; Maxidex; Mediamethasone; Methylfluorprednisolone; Mexidex; Millicorten; Mymethasone; Oradexon; Policort; Posurdex; Prodex; Spoloven; Superprednol; Turbinaire; Visumetazone; Alcon Brand of Dexamethasone; Bisu DS; Desametasone [DCIT]; Dexa Mamallet; Dexamethasone Base; Dexamethasone Intensol; Dexamethasone alcohol; ECR Brand of Dexamethasone; Foy Brand of Dexamethasone; Hexadrol Elixir; Hexadrol Tablets; ICN Brand of Dexamethasone; Lokalison F; Merck Brand of Dexamethasone; Pet Derm III; Prednisolon F; Prednisolone F; Sunia Sol D; Dexone 4; MK 125; Merz Brand 1 of Dexamethasone; Merz Brand 2 of Dexamethasone; Aeroseb-D; Aeroseb-Dex; Azium (Veterinary); Decadron (TN); Decadron Tablets, Elixir; Decadron, Dexamethasone; Decadron-LA; Dex-ide; Dexa-Cortidelt;Dexa-Cortisyl; Dexa-Mamallet; Dexa-Scheroson; Dexa-sine; Dexacen-4; Dexametasona [INN-Spanish]; Dexamethasonum [INN-Latin]; Dexone 0.5; Dexone 0.75; Dexone 1.5; Hl-dex; Isopto-Dex; OTO-104; Ocu-trol;Pet-Derm Iii; SK-Dexamethasone; Decaject L.A.; Dexamethasone [INN:BAN:JAN]; Decaject-L.A.; Dexamethasone (JP15/USP/INN); Delta1-9alpha-Fluoro-16alpha-methylcortisol; Delta(sup 1)-9-alpha-Fluoro-16-alpha-methylcortisol; (3H)-Dexamethasone; 1-Dehydro-16.alpha.-methyl-9.alpha.-fluorohydrocortisone; 1-Dehydro-16alpha-methyl-9alpha-fluorohydrocortisone; 16-alpha-Methyl-9-alpha-fluoro-1-dehydrocortisol; 16-alpha-Methyl-9-alpha-fluoro-delta(sup 1)-hydrocortisone; 16-alpha-Methyl-9-alpha-fluoro-delta1-hydrocortisone; 16-alpha-Methyl-9-alpha-fluoroprednisolone; 16.alpha.-Methyl-9.alpha.-fluoro-1-dehydrocortisol; 16.alpha.-Methyl-9.alpha.-fluoroprednisolone; 16alpha-Methyl-9alpha-fluoro-1-dehydrocortisol; 16alpha-Methyl-9alpha-fluoro-delta(sup 1)-hydrocortisone; 16alpha-Methyl-9alpha-fluoroprednisolone; 9-alpha-Fluoro-16-alpha-methylprednisolone; 9.alpha.-Fluoro-16.alpha.-methylprednisolone; 9A-FLUORO-16BETA-METHYLPREDNISOLONE; 9alpha-Fluoro-16alpha-methylprednisolone
Therapeutic Class
Antiinflammatory Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Basic Physicochemical Property
EndPoint Value Percentile Histogram
Molecular Weight (MW) 392.47 64.81%
Number of Atoms (nAtom) 28 68.06%
Number of Heteroatoms (nHet) 6 55.87%
Number of Rings (nRing) 4 85.01%
Number of Rotatable Bonds (nRot) 2 29.59%
Number of Hydrogen Bond Acceptors (HBA) 5 67.49%
Number of Hydrogen Bond Donors (HBD) 3 86.25%
Topological Polar Surface Area (TPSA) 94.83 69.62%
n-Octanol/Water Partition Coefficient (SlogP) 1.9 34.13%

ADMET Endpoint Atlas of This Drug

ADMET Endpoint Overview
Download Endpoint Information
ADMET Regression Property
ADMET Type Classification Endpoint Value Percentile Histogram Info
Absorption Oral Bioavailability Caco-2 -4.81 54.89% ⓘ
Absorption Lipophilicity & Solubility Hydration Free Energy NA NA ⓘ
Absorption Lipophilicity & Solubility Lipophilicity 1.87 44% ⓘ
Absorption Lipophilicity & Solubility Solubility -3.64 30.32% ⓘ
Distribution Protein Binding PPB 0.68 32.1% ⓘ
Distribution Tissue Distribution VDss -0.03 42.8% ⓘ
Distribution Tissue Distribution PPBR 71.53 22.02% ⓘ
Excretion Clearance & Half-life T1/2 3.7 40.66% ⓘ
Excretion Clearance & Half-life MRT 4.7 53.86% ⓘ
Excretion Clearance & Half-life logCL(ml/min/k) NA NA ⓘ
Excretion Clearance & Half-life Clearance 31 64.91% ⓘ
Toxicity Acute & Repeated Dose Acute oral toxicity NA NA ⓘ
Toxicity Acute & Repeated Dose FDAMDD 3.42 87.74% ⓘ
Toxicity Carcinogenicity Mouse carcinogenicity NA NA ⓘ
Toxicity Carcinogenicity Rat carcinogenicity NA NA ⓘ
Toxicity Ecotoxicity T. pyriformis toxicity NA NA ⓘ
Toxicity Ecotoxicity BCF NA NA ⓘ
Toxicity Organ Toxicity Neurotoxicity NA NA ⓘ
ADMET Classification Property
ADMET Type Classification Endpoint Value Sign Proportion Info
Absorption Oral Bioavailability F50% 1 ● 58.79% ⓘ
Absorption Oral Bioavailability F30% 1 ● 71.09% ⓘ
Absorption Oral Bioavailability F20% 1 ● 78.64% ⓘ
Absorption Oral Bioavailability Bioavailability 1 ● 77.47% ⓘ
Absorption Permeability MDCK 1 ● 50.77% ⓘ
Absorption Permeability PAMPA 1 ● 62.23% ⓘ
Absorption Permeability HIA NA ● NA ⓘ
Distribution Tissue Distribution BBB 1 ● 69.73% ⓘ
Metabolism CYP450 Enzymes CYP3A4 inhibitor 0 ● 82.45% ⓘ
Metabolism CYP450 Enzymes CYP3A4 substrate 1 ● 55.7% ⓘ
Metabolism CYP450 Enzymes CYP2C9 substrate 0 ● 67.07% ⓘ
Metabolism CYP450 Enzymes CYP2D6 substrate 0 ● 66.54% ⓘ
Metabolism CYP450 Enzymes CYP1A2 inhibitor NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP2B6 inhibitor NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP2C9 inhibitor NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP2C19 inhibitor NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP2D6 inhibitor NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP1A2 substrate NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP2B6 substrate NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP2C19 substrate NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP2C9i inhibitor NA ● NA ⓘ
Metabolism Hepatic Stability HLM NA ● NA ⓘ
Metabolism Hepatic Stability RLM NA ● NA ⓘ
Metabolism Hepatic Stability UGT substrate NA ● NA ⓘ
Excretion Clearance & Half-life CLp 0 ● 6.46% ⓘ
Excretion Clearance & Half-life CLr 0 ● 43.38% ⓘ
Excretion Transporters OATP1B3 inhibitor 1 ● 93.59% ⓘ
Excretion Transporters OCT1 inhibitor 0 ● 72.23% ⓘ
Excretion Transporters P-gp inhibitor 0 ● 67.51% ⓘ
Excretion Transporters OATP1B1 inhibitor NA ● NA ⓘ
Excretion Transporters OATP2B1 inhibitor NA ● NA ⓘ
Excretion Transporters OCT2 inhibitor NA ● NA ⓘ
Excretion Transporters BCRP inhibitor NA ● NA ⓘ
Excretion Transporters BSEP inhibitor NA ● NA ⓘ
Excretion Transporters MATE1 inhibitor NA ● NA ⓘ
Excretion Transporters P-gp substrate NA ● NA ⓘ
Toxicity Acute & Repeated Dose Repeated dose toxicity NA ● NA ⓘ
Toxicity Carcinogenicity Rodents carcinogenicity NA ● NA ⓘ
Toxicity Cardiotoxicity hERG(1μM) NA ● NA ⓘ
Toxicity Cardiotoxicity hERG(10μM) NA ● NA ⓘ
Toxicity Cardiotoxicity hERG(30μM) NA ● NA ⓘ
Toxicity Cardiotoxicity hERG(<1μM >10μM) NA ● NA ⓘ
Toxicity Cardiotoxicity hERG(<10μM >30μM) NA ● NA ⓘ
Toxicity Cellular Toxicity Mitochondrial toxicity 1 ● 23.01% ⓘ
Toxicity Cellular Toxicity MMP 0 ● 83.73% ⓘ
Toxicity Cellular Toxicity Hemolytic toxicity NA ● NA ⓘ
Toxicity Cellular Toxicity Lysosomal toxicity (Phospholipidosis) NA ● NA ⓘ
Toxicity Cytotoxicity RPMI_8226 Immunitoxicity NA ● NA ⓘ
Toxicity Cytotoxicity HEK293 NA ● NA ⓘ
Toxicity Cytotoxicity NIH3T3 NA ● NA ⓘ
Toxicity Cytotoxicity CRL-7250 NA ● NA ⓘ
Toxicity Ecotoxicity Honey bee toxicity NA ● NA ⓘ
Toxicity Ecotoxicity Avian toxicity (Colinus virginanus) NA ● NA ⓘ
Toxicity Ecotoxicity Avian toxicity (Anas platyrhynchos) NA ● NA ⓘ
Toxicity Ecotoxicity P. subcapitata toxicity NA ● NA ⓘ
Toxicity Ecotoxicity Crustaceans toxicity NA ● NA ⓘ
Toxicity Ecotoxicity D. magna toxicity NA ● NA ⓘ
Toxicity Ecotoxicity Fish toxicity NA ● NA ⓘ
Toxicity Ecotoxicity Fathead minnow toxicity NA ● NA ⓘ
Toxicity Ecotoxicity Bluegill sunfish toxicity NA ● NA ⓘ
Toxicity Ecotoxicity Rainbow trout toxicity NA ● NA ⓘ
Toxicity Ecotoxicity Sheepshead minnow toxicity NA ● NA ⓘ
Toxicity Ecotoxicity Biodegradability NA ● NA ⓘ
Toxicity Endocrine Disruption ER 0 ● 91.58% ⓘ
Toxicity Endocrine Disruption AR-LBD 1 ● 12.24% ⓘ
Toxicity Endocrine Disruption ER-LBD 1 ● 12.59% ⓘ
Toxicity Endocrine Disruption Aromatase 1 ● 14.18% ⓘ
Toxicity Endocrine Disruption ARE 0 ● 80.89% ⓘ
Toxicity Endocrine Disruption ATAD5 0 ● 94.42% ⓘ
Toxicity Endocrine Disruption HSE 0 ● 94.78% ⓘ
Toxicity Endocrine Disruption p53 0 ● 91.23% ⓘ
Toxicity Endocrine Disruption PPAR-γ 0 ● 90.88% ⓘ
Toxicity Endocrine Disruption AR NA ● NA ⓘ
Toxicity Endocrine Disruption AhR NA ● NA ⓘ
Toxicity Endocrine Disruption TR NA ● NA ⓘ
Toxicity Endocrine Disruption GR NA ● NA ⓘ
Toxicity Genotoxicity Ames mutagenesis 0 ● 70.27% ⓘ
Toxicity Genotoxicity Micronucleus NA ● NA ⓘ
Toxicity Organ Toxicity DILI NA ● NA ⓘ
Toxicity Organ Toxicity Respiratory toxicity NA ● NA ⓘ
Toxicity Organ Toxicity Nephrotoxicity NA ● NA ⓘ
Toxicity Organ Toxicity Ototoxicity NA ● NA ⓘ
Toxicity Photoinduced Toxicity Photoinduced toxicity 0 ● 55.25% ⓘ
Toxicity Photoinduced Toxicity Photoallergy 0 ● 58.35% ⓘ
Toxicity Photoinduced Toxicity Phototoxicity NA ● NA ⓘ
Toxicity Reproductive Toxicity Reproductive toxicity NA ● NA ⓘ
Toxicity Skin & Eye Toxicity Eye corrosion NA ● NA ⓘ
Toxicity Skin & Eye Toxicity Eye irritation NA ● NA ⓘ
Toxicity Skin & Eye Toxicity Skin corrosion NA ● NA ⓘ
Toxicity Skin & Eye Toxicity Skin irritation NA ● NA ⓘ
Toxicity Skin & Eye Toxicity Skin sensitisation NA ● NA ⓘ
Toxicity Skin & Eye Toxicity Acute dermal toxicity NA ● NA ⓘ
Toxicity Skin & Eye Toxicity HaCaT dermatotoxicity NA ● NA ⓘ
Frequency Distribution Histogram
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