Details of the Drug ADMET Endpoint

General Information of Drug (ID: DMRGZ16)

Drug Name
Sulfamethazine
Synonyms
Azolmetazin; Cremomethazine; Diazil; Dimezathine; Intradine; Kelametazine; Mermeth; Neasina; Neazina; Pirmazin; Primazin; Solfadimidina; Spanbolet; Sulfadimerazine; Sulfadimesin; Sulfadimesine; Sulfadimethyldiazine; Sulfadimethylpyrimidine; Sulfadimezin; Sulfadimezine; Sulfadimezinum; Sulfadimidin; Sulfadimidina; Sulfadimidine; Sulfadimidinum; Sulfadine; Sulfametazina; Sulfametazyny; Sulfamethiazine; Sulfamezathine; Sulfodimesin; Sulfodimezine; Sulphadimethylpyrimidine; Sulphadimidine; Sulphamethasine; Sulphamethazine; Sulphamezathine; Sulphamidine; Sulphodimezine; Superseptil; Superseptyl; Vertolan; Calfspan Tablets; Sa III; Solfadimidina [DCIT]; SulfaSURE SR Bolus; Sulfadimidine solution; Sulfametazina[Italian]; Sulfametazyny [Polish]; Sulfamethazine solution; Sulka S Boluses; BN 2409; HC210279; A-502; Diazil (the sulfanilamide); Dimidin-R; Hava-Span; Sulfa-Isodimerazine; Sulfadimidina [INN-Spanish]; Sulfadimidine (INN); Sulfadimidine [INN:BAN]; Sulfadimidinum [INN-Latin]; Sulfamethazine (USP); Sulfamezathine (TN); N-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide; N(1)-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide; N(1)-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide; N(Sup1)-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide; N(Sup1)-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide; N(sup 1)-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide; N(sup 1)-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide; N(sup1)-(2,6-Dimethylpyrimid-4-yl)sulfanilamide; [(4-Aminophenyl)sulfonyl](4,6-dimethylpyrimidin-2-yl)amine; (p-Aminobenzolsulfonyl)-2-amino-4,6-dimethylpyrimidin; (p-Aminobenzolsulfonyl)-2-amino-4,6-dimethylpyrimidin [German]; 2-(4-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine; 2-(p-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine; 2-Sulfanilamido-4,6-dimethylpyrimidine; 4,6-Dimethyl-2-sulfanilamidopyrimidine; 4,6-Dimethylsulfadiazine; 4-Amino-N-(2,6-dimethyl-4-pyrimidinyl)benzenesulfonamide; 4-Amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide; 4-Amino-N-(4,6-dimethyl-2-pyrimidyl)benzenesulfonamide; 4-Amino-N-(4,6-dimethyl-pyrimidin-2-yl)-benzenesulfonamide; 4-Amino-N-[4,6-dimethyl-2-pyrimidinyl]-benzenesulfonamide; 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzene-1-sulfonamide; 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide; 6-(4'-Aminobenzol-sulfonamido)-2,4-dimethylpyrimidin; 6-(4'-Aminobenzol-sulfonamido)-2,4-dimethylpyrimidin [German]
Therapeutic Class
Antiinfective Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Basic Physicochemical Property
EndPoint Value Percentile Histogram
Molecular Weight (MW) 278.34 32.27%
Number of Atoms (nAtom) 19 32.47%
Number of Heteroatoms (nHet) 7 66.21%
Number of Rings (nRing) 2 40.13%
Number of Rotatable Bonds (nRot) 3 41.43%
Number of Hydrogen Bond Acceptors (HBA) 5 67.49%
Number of Hydrogen Bond Donors (HBD) 2 73.71%
Topological Polar Surface Area (TPSA) 97.97 71.6%
n-Octanol/Water Partition Coefficient (SlogP) 1.48 28.16%

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 NA NA ⓘ
Absorption Lipophilicity & Solubility Solubility -2.73 45.44% ⓘ
Distribution Protein Binding PPB 0.85 43.89% ⓘ
Distribution Tissue Distribution VDss NA NA ⓘ
Distribution Tissue Distribution PPBR NA NA ⓘ
Excretion Clearance & Half-life T1/2 7.77 60.03% ⓘ
Excretion Clearance & Half-life MRT NA NA ⓘ
Excretion Clearance & Half-life logCL(ml/min/k) NA NA ⓘ
Excretion Clearance & Half-life Clearance NA NA ⓘ
Toxicity Acute & Repeated Dose Acute oral toxicity 1895.73 59.52% ⓘ
Toxicity Acute & Repeated Dose FDAMDD 0.75 15.25% ⓘ
Toxicity Carcinogenicity Mouse carcinogenicity -0.74 16.42% ⓘ
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 HIA 1 ● 88.93% ⓘ
Absorption Permeability MDCK NA ● NA ⓘ
Absorption Permeability PAMPA NA ● NA ⓘ
Distribution Tissue Distribution BBB NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP3A4 inhibitor 0 ● 82.45% ⓘ
Metabolism CYP450 Enzymes CYP2C9 substrate 0 ● 67.07% ⓘ
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 CYP3A4 substrate NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP2B6 substrate NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP2C19 substrate NA ● NA ⓘ
Metabolism CYP450 Enzymes CYP2D6 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 1 ● 93.54% ⓘ
Excretion Clearance & Half-life CLr NA ● NA ⓘ
Excretion Transporters OATP1B1 inhibitor 1 ● 90.71% ⓘ
Excretion Transporters OATP1B3 inhibitor 1 ● 93.59% ⓘ
Excretion Transporters OCT1 inhibitor 0 ● 72.23% ⓘ
Excretion Transporters BCRP inhibitor 0 ● 53.69% ⓘ
Excretion Transporters MATE1 inhibitor 0 ● 90.91% ⓘ
Excretion Transporters P-gp inhibitor 0 ● 67.51% ⓘ
Excretion Transporters OATP2B1 inhibitor NA ● NA ⓘ
Excretion Transporters OCT2 inhibitor NA ● NA ⓘ
Excretion Transporters BSEP inhibitor NA ● NA ⓘ
Excretion Transporters P-gp substrate NA ● NA ⓘ
Toxicity Acute & Repeated Dose Repeated dose toxicity 1 ● 53.42% ⓘ
Toxicity Carcinogenicity Rodents carcinogenicity 1 ● 37.1% ⓘ
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 HEK293 0 ● 86.03% ⓘ
Toxicity Cytotoxicity NIH3T3 0 ● 87.72% ⓘ
Toxicity Cytotoxicity CRL-7250 0 ● 89.65% ⓘ
Toxicity Cytotoxicity RPMI_8226 Immunitoxicity NA ● NA ⓘ
Toxicity Ecotoxicity P. subcapitata toxicity 1 ● 50.34% ⓘ
Toxicity Ecotoxicity Crustaceans toxicity 0 ● 62.33% ⓘ
Toxicity Ecotoxicity D. magna toxicity 0 ● 63.85% ⓘ
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 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 AR 0 ● 88.77% ⓘ
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 ER-LBD NA ● NA ⓘ
Toxicity Genotoxicity Ames mutagenesis 0 ● 70.27% ⓘ
Toxicity Genotoxicity Micronucleus NA ● NA ⓘ
Toxicity Organ Toxicity Ototoxicity 1 ● 62.27% ⓘ
Toxicity Organ Toxicity DILI NA ● NA ⓘ
Toxicity Organ Toxicity Respiratory toxicity NA ● NA ⓘ
Toxicity Organ Toxicity Nephrotoxicity NA ● NA ⓘ
Toxicity Photoinduced Toxicity Photoinduced toxicity NA ● NA ⓘ
Toxicity Photoinduced Toxicity Phototoxicity NA ● NA ⓘ
Toxicity Photoinduced Toxicity Photoallergy NA ● NA ⓘ
Toxicity Reproductive Toxicity Reproductive toxicity NA ● NA ⓘ
Toxicity Skin & Eye Toxicity Eye corrosion 0 ● 93.33% ⓘ
Toxicity Skin & Eye Toxicity Eye irritation 0 ● 72.82% ⓘ
Toxicity Skin & Eye Toxicity HaCaT dermatotoxicity 0 ● 88.25% ⓘ
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 ⓘ
Frequency Distribution Histogram
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