Detailed information for compound 300698

Basic information

Technical information
  • TDR Targets ID: 300698
  • Name: 1-(diaminomethylidene)-2-(2-phenylethyl)guani dine
  • MW: 205.26 | Formula: C10H15N5
  • H donors: 3 H acceptors: 0 LogP: 0.71 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N=C(NC(=N)N)NCCc1ccccc1
  • InChi: 1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)
  • InChiKey: ICFJFFQQTFMIBG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • Beta-Pebg
  • Beta-Phenethybiguanide
  • Beta-Phenethylbiguanide
  • Fenformin
  • Fenformina [Inn-Spanish]
  • N-Phenethylbiguanide Hydrochloride
  • PEDG
  • Phenethylbiguanide Hydrochloride
  • Phenethyldiguanide
  • Phenformin
  • Phenformin HCl
  • Phenformin Hydrochloride
  • Phenformine
  • Phenformine HCl
  • Phenformine [Inn-French]
  • Phenforminum [Inn-Latin]
  • Phenoformine Hydrochloride
  • Phenylethylbiguanide
  • 1-(diaminomethylidene)-2-phenethylguanidine
  • 1-(diaminomethylene)-2-phenethyl-guanidine
  • 1-(diaminomethylene)-2-phenethylguanidine
  • 1-[bis(azanyl)methylidene]-2-phenethyl-guanidine
  • 1-(diaminomethylene)-2-(2-phenylethyl)guanidine
  • 114-86-3
  • Prestwick0_000179
  • AIDS-035406
  • KBio3_002871
  • KBioGR_002392
  • 114-86-3 (FREE BASE)
  • NCGC00164394-01
  • AIDS035406
  • cMAP_000038
  • SPBio_001998
  • CAS-834-28-6
  • NCGC00016543-01
  • BPBio1_000085
  • 1-Phenethylbiguanide
  • 4-12-00-02472 (Beilstein Handbook Reference)
  • Azucaps
  • BRN 1977317
  • Biguanide, 1-phenethyl-
  • CCRIS 500
  • Cronoformin
  • D Bretard
  • DB Comb
  • Db-retard
  • Debeone
  • Debinyl
  • Diabis
  • Dibein
  • Dibiraf
  • Dibotin
  • EINECS 204-057-4
  • Feguanide
  • Fenfoduron
  • Fenformina
  • Fenormin
  • Glukopostin
  • Glyphen
  • HSDB 3154
  • Imidodicarbonimidic diamide, N-(2-phenylethyl)-
  • Insoral
  • Lentobetic
  • N'-beta-Fenetilformamidiniliminourea [Italian]
  • N'-beta-Phenethylformamidinylliminourea
  • NCI-C01741
  • Normoglucina
  • Phenformix
  • Retardo
  • W 32
  • KBio2_002392
  • KBioSS_002397
  • KBio2_004960
  • Prestwick2_000179
  • Prestwick3_000179
  • KBio2_007528
  • Prestwick1_000179
  • C07673
  • BB_SC-5092
  • N-(2-phenylethyl)imidodicarbonimidic diamide
  • BSPBio_000077

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens hypoxia inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor) Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens solute carrier family 22 (organic cation transporter), member 1 Starlite/ChEMBL References
Rattus norvegicus Peripheral myelin protein 22 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily D, polypeptide 6 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypoxia-induced factor 1 Get druggable targets OG5_131074 All targets in OG5_131074
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131074 All targets in OG5_131074
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi hypothetical protein Get druggable targets OG5_131074 All targets in OG5_131074
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi hypoxia-induced factor 1 Get druggable targets OG5_131074 All targets in OG5_131074
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi hypothetical protein Peripheral myelin protein 22   160 aa 129 aa 25.6 %
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Brugia malayi major facilitator superfamily protein solute carrier family 22 (organic cation transporter), member 1 554 aa 543 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.00141393 0.5 0.5
Brugia malayi steroid hormone receptor 0.00141393 0.5 0.5
Loa Loa (eye worm) steroid hormone receptor 0.00141393 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.00141393 0.5 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.00141393 0.5 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.00141393 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.00141393 0.5 0.5
Echinococcus granulosus FTZ F1 alpha 0.00141393 0.5 0.5
Brugia malayi nuclear receptor NHR-88 0.00141393 0.5 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.00141393 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.00141393 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.00141393 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.00141393 0.5 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.00141393 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.00141393 0.5 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.00141393 0.5 0.5
Schistosoma mansoni nuclear hormone receptor 0.00141393 0.5 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.00141393 0.5 0.5
Schistosoma mansoni coup transcription factor 0.00141393 0.5 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.00141393 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.00141393 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.00141393 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.00141393 0.5 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.00141393 0.5 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.00141393 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.00141393 0.5 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.00141393 0.5 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.00141393 0.5 0.5
Schistosoma mansoni thyroid hormone receptor 0.00141393 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.00141393 0.5 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.00141393 0.5 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.00141393 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.00141393 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.00141393 0.5 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.00141393 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.00141393 0.5 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.00141393 0.5 0.5
Brugia malayi nuclear hormone receptor 0.00141393 0.5 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.00141393 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.00141393 0.5 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.00141393 0.5 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.00141393 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.00141393 0.5 0.5
Schistosoma mansoni thyroid hormone receptor 0.00141393 0.5 0.5
Echinococcus multilocularis FTZ F1 alpha 0.00141393 0.5 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.00141393 0.5 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.00141393 0.5 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.00141393 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.00141393 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.00141393 0.5 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.00141393 0.5 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.00141393 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.00141393 0.5 0.5
Onchocerca volvulus 0.00141393 0.5 0.5
Onchocerca volvulus Bile acid receptor homolog 0.00141393 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.00141393 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.00141393 0.5 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.00141393 0.5 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.00141393 0.5 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.00141393 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.00141393 0.5 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.00141393 0.5 0.5
Brugia malayi Steroid receptor seven-up type 2 0.00141393 0.5 0.5
Brugia malayi ecdysteroid receptor 0.00141393 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.00141393 0.5 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.00141393 0.5 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.00141393 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.00141393 0.5 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.00141393 0.5 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.00141393 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.00141393 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 10 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Activity (functional) = -3.4 % Antiobesity activity in lean normal BALB/c mouse assessed as change in average daily food intake at 0.62 mmol/kg/day administered through diet for 7 days relative to time-matched control ChEMBL. 19422230
Activity (functional) = -0.14 % Antiobesity activity in lean normal BALB/c mouse assessed as change in average daily weight at 0.62 mmol/kg/day administered through diet for 7 days relative to time-matched control ChEMBL. 19422230
Activity (binding) = 88 % Effect on human MRP2-mediated estradiol-17-beta-glucuronide transport in Sf9 cells inverted membrane vesicles relative to control ChEMBL. 18457386
Activity (functional) = 106 % Hypoglycemic activity in lean normal BALB/c mouse assessed as blood glucose level at 0.62 mmol/kg/day administered through diet for 7 days relative to time-matched control ChEMBL. 19422230
Blood glucose (functional) = 5.52 mM l-1 In vitro inhibition of glucose oxidation determined in normal rats at a hypoglycemic dose of 2.0 mmol/kg ChEMBL. 6345781
Blood lactate (functional) = 12.2 mg dl-1 Evaluated for the blood lactate level in 24 hr fasted Sprague-Dawley rats at a dose of 200 mg/kg/day in four divided doses administered intraperitoneally ChEMBL. 2329563
Change (functional) = -10 % Percent change in blood glucose in normal rats at a hypoglycemic dose of 2.0 mmol/kg. against control ChEMBL. 6345781
Change (functional) = -6 % Percent change in blood glucose in normal rats at a hypoglycemic dose of 2.0 mmol/kg. against control ChEMBL. 6345781
Decrease in blood glucose (functional) = 70 % Hypoglycemic activity was given as differences between the mean changes in blood glucose concentration in control group and the treated group after a dose of 25mg/kg, ip ChEMBL. 4045919
Drug uptake (ADMET) = 450 pmol/mg Cellular uptake in human HEK293 cells assessed as human OCT2-mediated drug transport at 2.5 uM after 4 mins by LC-MS/MS analysis ChEMBL. 23984907
Drug uptake (ADMET) = 570 pmol/mg Cellular uptake in human HEK293 cells assessed as human OCT1-mediated drug transport at 2.5 uM after 4 mins by LC-MS/MS analysis ChEMBL. 23984907
ED20 (functional) = 0.16 mM kg-1 Compound evaluated for hypoglycemic activity by lowering blood glucose in streptozotocin-diabetic rats by 20% after oral administration ChEMBL. 6864736
ED20 (functional) > 1 mM kg-1 Compound evaluated for hypoglycemic activity by lowering blood glucose in normal rats by 20% after oral administration;highest dose tested;inactive(less than 10% blood sugar decrease) ChEMBL. 6864736
ED50 (functional) > 1 mM kg-1 Compound evaluated for hypoglycemic activity by lowering blood glucose in normal rats by 50% after oral administration; inactive(less than 10% blood sugar decrease) ChEMBL. 6864736
Glucose rise (functional) = 21 mg dl-1 Rise in the blood glucose level at 300 mg/kg oral dose in fasted nondiabetic rats ChEMBL. 2769683
Glucose rise (functional) = 26 mg dl-1 Rise in the blood glucose level at 150 mg/kg oral dose in fasted nondiabetic rats ChEMBL. 2769683
Glucose rise (functional) = 26 mg dl-1 Rise in the blood glucose level after 30 min following 300 mg/kg oral dose in fasted nondiabetic rats ChEMBL. 2769683
Glucose rise (functional) = 31 mg dl-1 Rise in the blood glucose level at 100 mg/kg oral dose in fasted nondiabetic rats ChEMBL. 2769683
Glucose rise (functional) = 35 mg dl-1 Rise in the blood glucose level at 50 mg/kg oral dose in fasted nondiabetic rats ChEMBL. 2769683
Glucose rise (functional) = 58 mg dl-1 Rise in the blood glucose level after 0 min following 150 mg/kg oral dose in fasted nondiabetic rats ChEMBL. 2769683
Glucose rise (functional) = 61 mg dl-1 Rise in the blood glucose level after 0 min following 10 mg/kg oral dose in fasted nondiabetic rats ChEMBL. 2769683
Glucose rise (functional) = 63 mg dl-1 Rise in the blood glucose level after 0 min following 50 mg/kg oral dose in fasted nondiabetic rats ChEMBL. 2769683
Glucose rise (functional) = 68 mg dl-1 Rise in the blood glucose level at 10 mg/kg oral dose in fasted nondiabetic rats ChEMBL. 2769683
Glucose rise (functional) = 70 mg dl-1 Rise in the blood glucose level after 0 min following 100 mg/kg oral dose in fasted nondiabetic rats ChEMBL. 2769683
Glucose rise (functional) = 70 mg dl-1 Rise in the blood glucose level after 0 min following 300 mg/kg oral dose in fasted nondiabetic rats ChEMBL. 2769683
Glucose rise (functional) = 84 mg dl-1 Rise in the blood glucose level after 30 min following 150 mg/kg oral dose in fasted nondiabetic rats ChEMBL. 2769683
Glucose rise (functional) = 98 mg dl-1 Rise in the blood glucose level after 30 min following 50 mg/kg oral dose in fasted nondiabetic rats ChEMBL. 2769683
Glucose rise (functional) = 101 mg dl-1 Rise in the blood glucose level after 30 min following 100 mg/kg oral dose in fasted nondiabetic rats ChEMBL. 2769683
Glucose rise (functional) = 129 mg dl-1 Rise in the blood glucose level after 30 min following 10 mg/kg oral dose in fasted nondiabetic rats ChEMBL. 2769683
IC50 (functional) = 0.18 mM l-1 In vitro inhibition of glucose oxidation by the compound in isolated rat fat cells ChEMBL. 6345781
IC50 (functional) = 0 uM Antimicrobial activity against Plasmodium falciparum ChEMBL. 20185316
IC50 (ADMET) = 27 uM Inhibition of MAMC O-dealkylation mediated by human Cytochrome P450 2D6 expressed in human lymphoblastoid cell line ChEMBL. 12502361
IC50 (ADMET) = 27 uM Inhibition of MAMC O-dealkylation mediated by human Cytochrome P450 2D6 expressed in human lymphoblastoid cell line ChEMBL. 12502361
IC50 (ADMET) = 45.4 uM Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D2 expressed in Saccharomyces cerivisiae ChEMBL. 12502361
IC50 (ADMET) = 45.4 uM Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D2 expressed in Saccharomyces cerivisiae ChEMBL. 12502361
IC50 (functional) = 65 uM TP_TRANSPORTER: inhibition of Cimetidine uptake (Cimetidine: 1 uM) in Xenopus laevis oocytes ChEMBL. 12240953
IC50 (ADMET) = 833 uM Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D4 expressed in Saccharomyces cerivisiae ChEMBL. 12502361
IC50 (ADMET) = 833 uM Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D4 expressed in Saccharomyces cerivisiae ChEMBL. 12502361
IC50 (ADMET) = 1927 uM Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D3 expressed in Saccharomyces cerivisiae ChEMBL. 12502361
IC50 (ADMET) = 1927 uM Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D3 expressed in Saccharomyces cerivisiae ChEMBL. 12502361
Inhibition (ADMET) Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D1 expressed in Saccharomyces cerivisiae; ND=no data ChEMBL. 12502361
Inhibition (ADMET) = -2.3 % Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake at 20 uM incubated for 5 mins by scintillation counting ChEMBL. 22541068
Inhibition (functional) = 0 % Percent inhibition of glucose rise, following 10 mg/kg oral dose in fasted nondiabetic rats ChEMBL. 2769683
Inhibition (ADMET) = 16.7 % Inhibition of human liver OATP2B1 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E3S uptake at 20 uM incubated for 5 mins by scintillation counting ChEMBL. 22541068
Inhibition (functional) = 21 % Hypoglycemic activity in alloxan-induced diabetic albino mouse assessed as decrease in blood glucose level at 1 mmol/kg, po administered 6 days after alloxan injection measured after 2 to 4 hrs by automated glucose oxidase method relative to control ChEMBL. 423216
Inhibition (ADMET) = 34.5 % Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake at 20 uM by scintillation counting ChEMBL. 22541068
Inhibition (functional) = 57 % Percent inhibition of glucose rise, following 50 mg/kg oral dose in fasted nondiabetic rats ChEMBL. 2769683
Inhibition (functional) = 64 % Percent inhibition of glucose rise, following 100 mg/kg oral dose in fasted nondiabetic rats ChEMBL. 2769683
Inhibition (functional) = 71 % Percent inhibition of glucose rise, following 150 mg/kg oral dose in fasted nondiabetic rats ChEMBL. 2769683
Inhibition (functional) = 81 % Percent inhibition of glucose rise, following 300 mg/kg oral dose in fasted nondiabetic rats ChEMBL. 2769683
Km (functional) = 15.6 uM TP_TRANSPORTER: uptake in OCT1-expressing CHO cells ChEMBL. 12130709
LD50 (ADMET) = 160 mg kg-1 Lethal dose required to produce 50% lethality in male and female carworth farms CF-1 strain mice weighing 16-25 g administered intraperitoneally ChEMBL. 7069714
LD50 (ADMET) = 160 mg kg-1 Lethal dose of the compound after intraperitoneal administration in mouse ChEMBL. 7310831
LD50 (ADMET) = 160 mg kg-1 Lethal dose of the compound after intraperitoneal administration in mouse ChEMBL. 7310831
LD50 (ADMET) = 900 mg kg-1 Lethal dose required to produce 50% lethality in male and female carworth farms CF-1 strain mice weighing 16-25 g administered orally ChEMBL. 7069714
LD50 (ADMET) = 900 mg kg-1 Lethal dose of the compound after peroral administration in mouse ChEMBL. 7310831
LD50 (ADMET) = 900 mg kg-1 Lethal dose of the compound after peroral administration in mouse ChEMBL. 7310831
ND (ADMET) 0 Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D1 expressed in Saccharomyces cerivisiae; ND=no data ChEMBL. 12502361
Plasma glucose level (functional) = 85 mg dl-1 Evaluated for the plasma glucose level in 24 hr fasted Sprauge-Dawley rats at a dose of 200 mg/kg/day in four divided doses administered intraperitoneally ChEMBL. 2329563
Plasma Insulin (functional) = 86.1 pM l-1 In vivo increase of plasma insulin in normal rats at a hypoglycemic dose of 2.0 mmol/kg ChEMBL. 6345781
Potency (functional) = 0.3981 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Agonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 915 ] ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Antagonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 914 ] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.0875 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (ADMET) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2D6. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) 13.7894 uM PUBCHEM_BIOASSAY: S16 Schwann cell PMP22 intronic element firefly luciferase assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 38.5708 uM PubChem BioAssay. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: Inhibitors of USP1/UAF1: Pilot qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504878] ChEMBL. No reference
Reduction (functional) = 0 % Evaluated in glucose-primed, fasted rat for the percentage reduction in blood glucose level after 2 h as compared to control groups at a dose of 100 mg of free base / kg body weight administered orally ChEMBL. 7069714
Reduction (functional) = 0 % Percent reduction in blood glucose after perorlly administrtion of compound at 100 mg/kg in glucose-primed rat ChEMBL. 7310831
Reduction (functional) = 25.3 % Percent reduction in blood glucose after perorlly administrtion of compound at 80 mg/kg in non-glucose-primed rat ChEMBL. 7310831
Reduction (functional) = 46 % Evaluated in normal, fasted guinea pig for the percentage reduction in blood glucose level after 5 h as compared to pretreatment blood glucose values at a dose of 25 mg of free base / kg body weight administered orally ChEMBL. 7069714
Reduction (functional) = 46 % Percent reduction in blood glucose after perorlly administrtion of compound at 25 mg/kg in in normal fasted guinea pig ChEMBL. 7310831
Reduction (functional) = 50 % Evaluated in normal, fasted monkey for the percentage reduction in blood glucose level after 5 h as compared to pretreatment blood glucose values at a dose of 10 mg of free base / kg body weight administered orally ChEMBL. 7069714
Reduction (functional) = 52.9 % Percent reduction in blood glucose after perorlly administrtion of compound at 120 mg/kg in non-glucose-primed rat ChEMBL. 7310831
Reduction (functional) = 62 % Evaluated in alloxanized, diabetic rat for the percentage reduction in blood glucose level after 5 h as compared to pretreatment blood glucose values at a dose of 100 mg of free base / kg body weight administered orally ChEMBL. 7069714
Reduction (functional) = 62 % Percent reduction in blood glucose after perorlly administrtion of compound at 100 mg/kg in in alloxanized rat ChEMBL. 7310831

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 20185316

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

14 literature references were collected for this gene.

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