Details of the Drug ADMET Endpoint

General Information of Drug (ID: DMUIE76)

Drug Name
Acetaminophen
Synonyms
acetaminophen; 4-Acetamidophenol; Paracetamol; 103-90-2; Tylenol; N-(4-Hydroxyphenyl)acetamide; APAP; Acetaminofen; Panadol; Datril; p-Hydroxyacetanilide; N-Acetyl-p-aminophenol; p-Acetamidophenol; Algotropyl; Naprinol; Lonarid; 4'-Hydroxyacetanilide; Multin; Acenol; Acamol; Anelix; p-Acetaminophenol; Liquagesic; Acetagesic; Gelocatil; Servigesic; Acetalgin; Abensanil; Pyrinazine; Injectapap; Clixodyne; Valgesic; Tussapap; Finimal; Paracet; Homoolan; Febrolin; Febrilix; Febridol; Dymadon; Anaflon; Apamide; Valadol; Tralgon; Tabalgin; Lestemp; Alvedon; Abenol; Abrol; Abrolet; Acephen; Acertol; Acetaco; Acetamol; Acetavance; Acetofen; Actamin; Actimol; Afebrin; Afebryl; Aferadol; Algesidal; Algina; Algomol; Alpiny; Alpinyl; Amadil; Aminofen; Analter; Anapap; Andox; Anhiba; Antidol; Anuphen; Apacet; Apadon; Apitrelal; Arfen; Arthralgen; Asetam; Asomal; Aspac; Asplin; Atasol; Atralidon; Babikan; Bacetamol; Banesin; Benmyo; Biocetamol; Cadafen; Calapol; Calmanticold; Calonal; Calpol; Capital; Captin; Causalon; Cefalex; Cetadol; Codabrol; Codalgin; Codapane; Codicet; Codisal; Codoliprane; Cofamol; Conacetol; Cosutone; Cuponol; Curadon; Curpol; Custodial; Dafalgan; Darocet; Darvocet; Daygrip; Deminofen; Democyl; Demogripal; Desfebre; Dhamol; Dimindol; Dirox; Disprol; Dolcor; Dolefin; Dolegrippin; Dolgesic; Doliprane; Dolko; Dolofugin; Doloreduct; Dolorfug; Dolorstop; Dolotec; Dolprone; Dorocoff; Dresan; Dristancito; Duaneo; Dularin; Duorol; Duracetamol; Durapan; Dypap; Ecosetol; Elixodyne; Empracet; Enelfa; Eneril; Excipain; Exdol; Fanalgic; Farmadol; Febranine; Febrectal; Febrectol; Febrex; Febricet; Febrin; Febrinol; Fendon; Fensum; Fepanil; Fevor; Finiweh; Fluparmol; Geluprane; Genapap; Genebs; Grippostad; Gynospasmine; Hedex; Ildamol; Inalgex; Infadrops; Janupap; Kataprin; Korum; Labamol; Lekadol; Lemgrip; Lemsip; Liqiprine; Lupocet; Lyteca; Magnidol; Malgis; Malidens; Maxadol; Medocodene; Mexalen; Minafen; Minoset; Miralgin; Momentum; NEBS; Napafen; Nealgyl; NeoCitran; Neodol; Neodolito; Neopap; Neotrend; Neuridon; NilnOcen; Nina; Nobedon; Nodolex; Noral; Ofirmev; Oltyl; Oralgan; Ortensan; Oxycocet; Paceco; Pacemo; Pacemol; Pacet; Pacimol; Paedialgon; Paedol; Painex; Paldesic; Pamol; Panacete; Panadeine; Panadiene; Panaleve; Panamax; Panasorb; Panasorbe; Panets; Panex; Panodil; Panofen; Pantalgin; Paracemol; Paracenol; Paracetamole; Paracetamolo; Paracetanol; Paracetol; Paracin; Paracod; Paracodol; Parador; Paradrops; Parakapton; Parake; Paralen; Paralief; Paralink; Paralyoc; Paramol; Paramolan; Paranox; Parapan; Parasedol; Parasin; Paraspen; Parcetol; Parelan; Parmol; Parogal; Paroma; Pasolind; Pediapirin; Pediatrix; Pedric; Perfalgan; Phendon; Phenipirin; Phogoglandin; Pinex; Piramin; Pirinasol; Plicet; Polmofen; Predimol; Predualito; Prodol; Prompt; Prontina; Puernol; Pulmofen; Pyrigesic; Pyromed; Redutemp; Reliv; Remedol; Rivalgyl; Robigesic; Rounox; RubieMol; Rubophen; Rupemol; Salzone; Sanicet; Sanicopyrine; Scanol; Scentalgyl; Schmerzex; Sedalito; Semolacin; Seskamol; Setakop; Setamol; Setol; Sifenol; Sinaspril; Sinedol; Sinmol; Stanback; Stopain; Sunetheton; Supofen; Suppap; TYL; Tachiprina; Tapanol; Tapar; Tazamol; Temlo; Tempanal; Tempra; Termacet; Termalgin; Termalgine; Termofren; Tiffy; Titralgan; Treuphadol; Tricoton; Tylex; Tylol; Tymol; Upsanol; Utragin; Valorin; Veralgina; Vermidon; Verpol; Vips; Viruflu; Vivimed; Volpan; Zatinol; Zolben; Aceta Elixir; Actifed Plus; Aspirin free anacin; Bayer Select; D oliprane; Dymadon Co; Fortalidon P; Gattaphen T; Gripin Bebe; Helon N; Influbene N; Jin Gang; Lonarid Mono; Lyteca Syrup; Malex N; Panadeine Co; Panale ve; Pasolind N; Spalt N; Supadol mono; Toximer P; Treupel N; Treupel mon; Ty lenol; Tylex CD; Anacin 3; A-Per; Accu-Tap; Ultracet
Therapeutic Class
Analgesics
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Basic Physicochemical Property
EndPoint Value Percentile Histogram
Molecular Weight (MW) 151.17 6.85%
Number of Atoms (nAtom) 11 9.69%
Number of Heteroatoms (nHet) 3 20.48%
Number of Rings (nRing) 1 21.11%
Number of Rotatable Bonds (nRot) 1 16.93%
Number of Hydrogen Bond Acceptors (HBA) 2 21.65%
Number of Hydrogen Bond Donors (HBD) 2 73.71%
Topological Polar Surface Area (TPSA) 49.33 27.7%
n-Octanol/Water Partition Coefficient (SlogP) 1.35 26.81%

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 0.25 13.29% ⓘ
Absorption Lipophilicity & Solubility Solubility -1.03 73.99% ⓘ
Distribution Protein Binding PPB NA NA ⓘ
Distribution Tissue Distribution VDss 0 44.96% ⓘ
Distribution Tissue Distribution PPBR 26.64 4.28% ⓘ
Excretion Clearance & Half-life T1/2 2.5 31.33% ⓘ
Excretion Clearance & Half-life MRT 3.3 42.72% ⓘ
Excretion Clearance & Half-life logCL(ml/min/k) NA NA ⓘ
Excretion Clearance & Half-life Clearance 8.56 32.98% ⓘ
Toxicity Acute & Repeated Dose Acute oral toxicity 1941.6 60.15% ⓘ
Toxicity Acute & Repeated Dose FDAMDD 0.48 8.96% ⓘ
Toxicity Carcinogenicity Mouse carcinogenicity -1.03 13.43% ⓘ
Toxicity Carcinogenicity Rat carcinogenicity -0.52 20.51% ⓘ
Toxicity Ecotoxicity T. pyriformis toxicity -0.82 21.51% ⓘ
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 1 ● 50.77% ⓘ
Absorption Permeability PAMPA 1 ● 62.23% ⓘ
Distribution Tissue Distribution BBB 1 ● 69.73% ⓘ
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 CYP1A2 substrate 1 ● 64% ⓘ
Metabolism CYP450 Enzymes CYP3A4 substrate 1 ● 55.7% ⓘ
Metabolism CYP450 Enzymes CYP2C9 substrate 1 ● 32.93% ⓘ
Metabolism CYP450 Enzymes CYP2D6 substrate 1 ● 33.46% ⓘ
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 1 ● 93.54% ⓘ
Excretion Clearance & Half-life CLr 0 ● 43.38% ⓘ
Excretion Transporters OATP1B1 inhibitor 1 ● 90.71% ⓘ
Excretion Transporters OATP1B3 inhibitor 1 ● 93.59% ⓘ
Excretion Transporters OCT1 inhibitor 0 ● 72.23% ⓘ
Excretion Transporters OCT2 inhibitor 0 ● 63.03% ⓘ
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 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 1 ● 23.01% ⓘ
Toxicity Cellular Toxicity Hemolytic toxicity 1 ● 67.27% ⓘ
Toxicity Cellular Toxicity MMP 0 ● 83.73% ⓘ
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 Avian toxicity (Colinus virginanus) 0 ● 91.11% ⓘ
Toxicity Ecotoxicity Avian toxicity (Anas platyrhynchos) 0 ● 91.49% ⓘ
Toxicity Ecotoxicity P. subcapitata toxicity 0 ● 49.66% ⓘ
Toxicity Ecotoxicity Fish toxicity 0 ● 47.92% ⓘ
Toxicity Ecotoxicity Fathead minnow toxicity 0 ● 58.16% ⓘ
Toxicity Ecotoxicity Biodegradability 1 ● 53.33% ⓘ
Toxicity Ecotoxicity Honey bee toxicity NA ● NA ⓘ
Toxicity Ecotoxicity Crustaceans toxicity NA ● NA ⓘ
Toxicity Ecotoxicity D. magna 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 Endocrine Disruption AR 0 ● 88.77% ⓘ
Toxicity Endocrine Disruption ER 0 ● 91.58% ⓘ
Toxicity Endocrine Disruption AR-LBD 0 ● 87.76% ⓘ
Toxicity Endocrine Disruption ER-LBD 0 ● 87.41% ⓘ
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 Genotoxicity Ames mutagenesis 0 ● 70.27% ⓘ
Toxicity Genotoxicity Micronucleus 1 ● 56.2% ⓘ
Toxicity Organ Toxicity DILI 1 ● 55.48% ⓘ
Toxicity Organ Toxicity Respiratory toxicity 1 ● 89.23% ⓘ
Toxicity Organ Toxicity Nephrotoxicity 1 ● 27.09% ⓘ
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 0 ● 93.33% ⓘ
Toxicity Skin & Eye Toxicity Eye irritation 0 ● 72.82% ⓘ
Toxicity Skin & Eye Toxicity Skin irritation 1 ● 68.36% ⓘ
Toxicity Skin & Eye Toxicity Skin corrosion 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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