Details of the Drug ADMET Endpoint

General Information of Drug (ID: DMMQ8ZG)

Drug Name
Furosemide
Synonyms
Aisemide; Aldalix; Aldic; Aluzine; Anfuramaide; Aquarid; Aquasin; Arasemide; Beronald; Bioretic; Cetasix; Depix; Desal; Desdemin; Dirine; Disal; Discoid; Disemide; Diural; Diurapid; Diurin; Diurolasa; Diusemide; Diusil; Diuzol; Dranex; Dryptal; Durafurid; Edemid; Edenol; Eliur; Endural; Errolon; Eutensin; FUN; Farsix; Fluidrol; Fluss; Franyl; Frumex; Frumide; Frusedan; Frusema; Frusemid; Frusemide; Frusemin; Frusenex; Frusetic; Frusid; Fulsix; Fuluvamide; Fuluvamine; Fulvamide; Furanthril; Furanthryl; Furantral; Furantril; Furanturil; Furesis; Furetic; Furex; Furfan; Furix; Furmid; Furobeta; Furocot; Furodiurol; Furodrix; Furomen; Furomex; Furorese; Furosan; Furose; Furosedon; Furosemid; Furosemida; Furosemidu; Furosemidum; Furosemix; Furoside; Furosifar; Furosix; Furoter; Furovite; Fursemid; Fursemida; Fursemide; Fursol; Fusid; Golan; Hissuflux; Hydrex; Hydro; Hydroled; Impugan; Jenafusid; Katlex; Kofuzon; Kolkin; Kutrix; Lasemid; Lasex; Lasiletten; Lasilix; Lasix; Laxur; Lazix; Liside; Logirene; Lowpston; Lowpstron; Luscek; Macasirool; Marsemide; Mirfat; Mita; Moilarorin; Myrosemide; Nadis; Nelsix; Novosemide; Odemase; Odemex; Oedemex; Prefemin; Profemin; Promedes; Promide; Protargen; Puresis; Radisemide; Radonna; Radouna; Retep; Rosemide; Rosis; Rusyde; Salinex; Salix; Salurex; Salurid; Seguril; Selectofur; Sigasalur; Spirofur; Synephron; Transit; Trofurit; Uremide; Uresix; Urian; Uridon; Uritol; Urosemide; Vesix; Yidoli; Zafimida; FUROSEMIDE USP; Fu sid; Furosemide Monohydrochloride; Furosemide Monosodium Salt; Furosemidu [Polish]; Lasix Retard; Lasix Special; Less Diur; Polysquall A; Sal diureticum; F0182; F4381_SIGMA; LB 502; Aisemide (TN); Apo-Frusemide; Apo-Furosemide; Beronald (TN); Desdemin (TN); Discoid (TN); Diumide-K; Diural (TN); Diurapid (TN); Dryptal (TN); Durafurid (TN); Errolon (TN); Eutensin (TN); Frudix (TN); Frusetic (TN); Frusid (TN); Fulsix (TN); Fuluvamide (TN); Furesis (TN); Furix (TN); Furo-Basan; Furo-puren; Furomide M.D; Furosedon (TN); Furosemida [INN-Spanish]; Furosemide (mita); Furosemidum [INN-Latin]; Hoe-058A; Hydro-rapid; Impugan (TN); Katlex (TN); LB-502; Lasilix (TN); Lasix (TN); Lodix (TN); Lowpston (TN); Macasirool (TN); Mirfat (TN); Neo-renal; Nicorol (TN); Odemase (TN); Oedemex (TN); Profemin (TN); Rosemide (TN); Rusyde (TN); Salix (TN); Salix (brand of furosemide); Trofurit (TN); Urex (TN); Urex-M; Apo-Furosemide (TN); Furo-Puren (TN); Furomide M.D.; Furosemide [USAN:INN:JAN]; Hydro-rapid(TN); Lasix, Frusemide, Furosemide; Furosemide (JP15/USP/INN); Chlor-N-(2-furylmethyl)-5-sulfamylanthranilsaeure; Chlor-N-(2-furylmethyl)-5-sulfamylanthranilsaeure [German]; 2-Furfurylamino-4-chloro-5-sulfamoylbenzoic acid; 4-Chloro-5-sulfamoyl-N-furfuryl-anthranilic acid; 4-Chloro-N-(2-furylmethyl)-5-sulfamoylanthranilic acid; 4-Chloro-N-furfuryl-5-sulfamoylanthranilic acid; 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid; 4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoic acid
Therapeutic Class
Diuretics
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Basic Physicochemical Property
EndPoint Value Percentile Histogram
Molecular Weight (MW) 330.75 48%
Number of Atoms (nAtom) 21 40.6%
Number of Heteroatoms (nHet) 9 81.35%
Number of Rings (nRing) 2 40.13%
Number of Rotatable Bonds (nRot) 5 64.02%
Number of Hydrogen Bond Acceptors (HBA) 5 67.49%
Number of Hydrogen Bond Donors (HBD) 3 86.25%
Topological Polar Surface Area (TPSA) 122.63 84.82%
n-Octanol/Water Partition Coefficient (SlogP) 1.89 34.06%

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 NA NA ⓘ
Absorption Lipophilicity & Solubility Hydration Free Energy NA NA ⓘ
Absorption Lipophilicity & Solubility Lipophilicity -0.9 3.14% ⓘ
Absorption Lipophilicity & Solubility Solubility -3.83 26.01% ⓘ
Distribution Protein Binding PPB NA NA ⓘ
Distribution Tissue Distribution VDss -0.92 3.92% ⓘ
Distribution Tissue Distribution PPBR 98.37 68.5% ⓘ
Excretion Clearance & Half-life T1/2 2.5 31.33% ⓘ
Excretion Clearance & Half-life MRT 1.3 19.32% ⓘ
Excretion Clearance & Half-life logCL(ml/min/k) NA NA ⓘ
Excretion Clearance & Half-life Clearance 3 13.33% ⓘ
Toxicity Acute & Repeated Dose Acute oral toxicity 2591.34 68.35% ⓘ
Toxicity Acute & Repeated Dose FDAMDD 1.52 37.53% ⓘ
Toxicity Carcinogenicity Mouse carcinogenicity -0.34 29.85% ⓘ
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 Bioavailability 1 ● 77.47% ⓘ
Absorption Oral Bioavailability F50% NA ● NA ⓘ
Absorption Oral Bioavailability F30% NA ● NA ⓘ
Absorption Oral Bioavailability F20% NA ● NA ⓘ
Absorption Permeability MDCK 0 ● 49.23% ⓘ
Absorption Permeability PAMPA 1 ● 62.23% ⓘ
Absorption Permeability HIA NA ● NA ⓘ
Distribution Tissue Distribution BBB 0 ● 30.27% ⓘ
Metabolism CYP450 Enzymes CYP1A2 inhibitor 0 ● 60.67% ⓘ
Metabolism CYP450 Enzymes CYP3A4 inhibitor 0 ● 82.45% ⓘ
Metabolism CYP450 Enzymes CYP2B6 inhibitor 0 ● 63.39% ⓘ
Metabolism CYP450 Enzymes CYP2C9 inhibitor 0 ● 81.65% ⓘ
Metabolism CYP450 Enzymes CYP2C19 inhibitor 0 ● 78.08% ⓘ
Metabolism CYP450 Enzymes CYP2D6 inhibitor 0 ● 70.02% ⓘ
Metabolism CYP450 Enzymes CYP3A4 substrate 1 ● 55.7% ⓘ
Metabolism CYP450 Enzymes CYP2C9 substrate 1 ● 32.93% ⓘ
Metabolism CYP450 Enzymes CYP2D6 substrate 0 ● 66.54% ⓘ
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 UGT substrate 1 ● 40.52% ⓘ
Metabolism Hepatic Stability HLM NA ● NA ⓘ
Metabolism Hepatic Stability RLM NA ● NA ⓘ
Excretion Clearance & Half-life CLp 0 ● 6.46% ⓘ
Excretion Clearance & Half-life CLr 1 ● 56.62% ⓘ
Excretion Transporters OATP1B1 inhibitor 1 ● 90.71% ⓘ
Excretion Transporters OATP1B3 inhibitor 1 ● 93.59% ⓘ
Excretion Transporters OATP2B1 inhibitor 0 ● 80.15% ⓘ
Excretion Transporters OCT1 inhibitor 0 ● 72.23% ⓘ
Excretion Transporters OCT2 inhibitor 0 ● 63.03% ⓘ
Excretion Transporters BCRP inhibitor 0 ● 53.69% ⓘ
Excretion Transporters BSEP inhibitor 0 ● 61.07% ⓘ
Excretion Transporters MATE1 inhibitor 0 ● 90.91% ⓘ
Excretion Transporters P-gp inhibitor 0 ● 67.51% ⓘ
Excretion Transporters P-gp substrate 0 ● 54.14% ⓘ
Toxicity Acute & Repeated Dose Repeated dose toxicity 0 ● 46.58% ⓘ
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 0 ● 76.99% ⓘ
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 0 ● 87.76% ⓘ
Toxicity Endocrine Disruption Aromatase 0 ● 85.82% ⓘ
Toxicity Endocrine Disruption AhR 0 ● 90.08% ⓘ
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 TR 0 ● 90.89% ⓘ
Toxicity Endocrine Disruption GR 0 ● 89.37% ⓘ
Toxicity Endocrine Disruption AR NA ● NA ⓘ
Toxicity Endocrine Disruption ER-LBD NA ● NA ⓘ
Toxicity Genotoxicity Ames mutagenesis 0 ● 70.27% ⓘ
Toxicity Genotoxicity Micronucleus NA ● NA ⓘ
Toxicity Organ Toxicity DILI 0 ● 44.52% ⓘ
Toxicity Organ Toxicity Respiratory toxicity 1 ● 89.23% ⓘ
Toxicity Organ Toxicity Nephrotoxicity NA ● NA ⓘ
Toxicity Organ Toxicity Ototoxicity NA ● NA ⓘ
Toxicity Photoinduced Toxicity Photoinduced toxicity 1 ● 44.75% ⓘ
Toxicity Photoinduced Toxicity Phototoxicity 1 ● 40.44% ⓘ
Toxicity Photoinduced Toxicity Photoallergy 1 ● 41.65% ⓘ
Toxicity Reproductive Toxicity Reproductive toxicity 1 ● 77.82% ⓘ
Toxicity Skin & Eye Toxicity Eye corrosion 0 ● 93.33% ⓘ
Toxicity Skin & Eye Toxicity Eye irritation 0 ● 72.82% ⓘ
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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