Details of the Drug ADMET Endpoint

General Information of Drug (ID: DM6VM38)

Drug Name
Reserpine
Synonyms
Abesta; Abicol; Adelfan; Adelphin; Alkarau; Alkaserp; Alserin; Apoplon; Apsical; Ascoserp; Ascoserpina; Austrapine; Banasil; Banisil; Benazyl; Bioserpine; Brinderdin; Briserine; Broserpine; Cardioserpin; Carditivo; Carpacil; Carrserp; Darebon; Deserpine; Dralserp; Eberpine; Eberspine; Ebserpine; Elfanex; Elserpine; Enipresser; Escaspere; Eserpine; Eskaserp; Eskaserpine; Gammaserpine; Gilucard; Helfoserpin; Hexaplin; Hiposerpil; Hiserpia; Hydropine; Hydroserp; Hypersil; Hypersine; Hypertensan; Idoserp; Idsoserp; Interpina; Kitine; Klimanosid; Lemiserp; Loweserp; Mallopress; Maviserpin; Mayserpine; Mephaserpin; Modenol; Naquival; Nembuserpin; Neoserfin; Neoserp; Neoslowten; Orthoserpina; Perskleran; Pressimedin; Purserpine; Quiescin; Raucap; Raudiford; Raudixin; Raudixoid; Raugal; Raulen; Rauloydin; Raumorine; Raunervil; Raunorine; Raunova; Raupasil; Raupoid; Raurine; Rausan; Rausedan; Rausedil; Rausedyl; Rauserpin; Rauserpine; Rauserpol; Rausingle; Rautrin; Rauvlid; Rauwasedin; Rauwilid; Rauwiloid; Rauwipur; Rauwita; Rauwoleaf; Rawilid; Recipin; Regroton; Resaltex; Resedrex; Resedril; Reserbal; Resercaps; Resercen; Reserfia; Reserjen; Reserlor; Reserp; Reserpal; Reserpamed; Reserpanca; Reserpene; Reserpex; Reserpidefe; Reserpil; Reserpin; Reserpina; Reserpinum; Reserpka; Reserpoid; Reserpur; Reserutin; Resiatric; Residin; Residine; Resine; Resocalm; Resperin; Resperine; Respital; Restran; Rezerpin; Riserpa; Rivased; Rivasin; Rolserp; Roxel; Roxinoid; Roxynoid; Ryser; Salupres; Sandril; Sandron; Sedaraupin; Sedaraupina; Sederaupin; Sedserp; Seominal; Serfin; Serfolia; Serolfia; Serpalan; Serpaloid; Serpaneurona; Serpanray; Serpasil; Serpasol; Serpate; Serpazil; Serpazol; Serpedin; Serpen; Serpena; Serpentil; Serpentin; Serpentina; Serpicon; Serpil; Serpiloid; Serpilum; Serpine; Serpipur; Serpivate; Serpivite; Serpogen; Serpoid; Serpone; Serpyrit; Sertabs; Sertens; Sertensin; Sertina; Supergan; Tefaserpina; Temposerpine; Tensanyl; Tenserpinie; Tensional; Tensionorme; Tepserpine; Terbolan; Transerpin; Triserpin; Tylandril; Unilord; Unipres; VIXO; Esc aspere; Hydromox R; Hypercal B; Loweser p; Neose rfin; Rau sedyl; Renese R; Rese rpamed; Se rpate; V Serp; VI XO; Diupres 250; Diupres 500; ENT 50146; H 520; Hydropres 25; Hydropres 50; Hydrosine 25; R 0875; Apoplon (TN); Diupres-250; Diupres-500; Diurese-R; Diutensen-R; HYDRO-RESERP; Hydrap-ES; Hydromox-R; Key-serpine; L-Carpserp; Neo-serp; Rau-Sed; Renese-R; Rese-lar; Reser-ar; SK-Reserpine; T-Serp; Usaf cb-27; V-Serp; Vio-Serpine; Cam-Ap-Es; L"-Carpserp; R-e-s; Ser-A-Gen; 3P Reserp
Therapeutic Class
Antihypertensive Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Basic Physicochemical Property
EndPoint Value Percentile Histogram
Molecular Weight (MW) 608.69 93.73%
Number of Atoms (nAtom) 44 94.82%
Number of Heteroatoms (nHet) 11 89.89%
Number of Rings (nRing) 6 97.3%
Number of Rotatable Bonds (nRot) 8 85.31%
Number of Hydrogen Bond Acceptors (HBA) 10 94.41%
Number of Hydrogen Bond Donors (HBD) 1 47.86%
Topological Polar Surface Area (TPSA) 117.78 82.65%
n-Octanol/Water Partition Coefficient (SlogP) 4.17 76.56%

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 -3.92 25.02% ⓘ
Distribution Protein Binding PPB 0.95 64.85% ⓘ
Distribution Tissue Distribution VDss NA NA ⓘ
Distribution Tissue Distribution PPBR NA NA ⓘ
Excretion Clearance & Half-life T1/2 NA NA ⓘ
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 NA NA ⓘ
Toxicity Acute & Repeated Dose FDAMDD 4.78 97.33% ⓘ
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 Bioavailability 1 ● 77.47% ⓘ
Absorption Oral Bioavailability F50% NA ● NA ⓘ
Absorption Oral Bioavailability F30% NA ● NA ⓘ
Absorption Oral Bioavailability F20% NA ● NA ⓘ
Absorption Permeability PAMPA 1 ● 62.23% ⓘ
Absorption Permeability HIA NA ● NA ⓘ
Absorption Permeability MDCK NA ● NA ⓘ
Distribution Tissue Distribution BBB 1 ● 69.73% ⓘ
Metabolism CYP450 Enzymes CYP3A4 inhibitor 0 ● 82.45% ⓘ
Metabolism CYP450 Enzymes CYP3A4 substrate 0 ● 44.3% ⓘ
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 1 ● 93.54% ⓘ
Excretion Clearance & Half-life CLr NA ● NA ⓘ
Excretion Transporters P-gp inhibitor 1 ● 32.49% ⓘ
Excretion Transporters OATP1B1 inhibitor NA ● NA ⓘ
Excretion Transporters OATP1B3 inhibitor NA ● NA ⓘ
Excretion Transporters OATP2B1 inhibitor NA ● NA ⓘ
Excretion Transporters OCT1 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 1 ● 16.27% ⓘ
Toxicity Cellular Toxicity Lysosomal toxicity (Phospholipidosis) 1 ● 23.08% ⓘ
Toxicity Cellular Toxicity Hemolytic toxicity NA ● NA ⓘ
Toxicity Cytotoxicity RPMI_8226 Immunitoxicity 1 ● 37.39% ⓘ
Toxicity Cytotoxicity HEK293 0 ● 86.03% ⓘ
Toxicity Cytotoxicity NIH3T3 0 ● 87.72% ⓘ
Toxicity Cytotoxicity CRL-7250 0 ● 89.65% ⓘ
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 AR NA ● NA ⓘ
Toxicity Endocrine Disruption ER NA ● NA ⓘ
Toxicity Endocrine Disruption AR-LBD NA ● NA ⓘ
Toxicity Endocrine Disruption ER-LBD NA ● NA ⓘ
Toxicity Endocrine Disruption Aromatase NA ● NA ⓘ
Toxicity Endocrine Disruption AhR NA ● NA ⓘ
Toxicity Endocrine Disruption ARE NA ● NA ⓘ
Toxicity Endocrine Disruption ATAD5 NA ● NA ⓘ
Toxicity Endocrine Disruption HSE NA ● NA ⓘ
Toxicity Endocrine Disruption p53 NA ● NA ⓘ
Toxicity Endocrine Disruption PPAR-γ 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 0 ● 44.52% ⓘ
Toxicity Organ Toxicity Ototoxicity 1 ● 62.27% ⓘ
Toxicity Organ Toxicity Respiratory toxicity NA ● NA ⓘ
Toxicity Organ Toxicity Nephrotoxicity 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 HaCaT dermatotoxicity 0 ● 88.25% ⓘ
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 ⓘ
Frequency Distribution Histogram
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