Detailed information for compound 47831

Basic information

Technical information
  • TDR Targets ID: 47831
  • Name: 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine- 7,8-diol
  • MW: 255.312 | Formula: C16H17NO2
  • H donors: 3 H acceptors: 2 LogP: 2.53 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1cc2CCNCC(c2cc1O)c1ccccc1
  • InChi: 1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2
  • InChiKey: JUDKOGFHZYMDMF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2,3,4,5-Tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepine
  • 67287-49-4
  • PDSP2_001508
  • Lopac0_000436
  • PDSP1_001524
  • NCGC00024875-04
  • 1H-3-Benzazepine-7,8-diol, 2,3,4,5-tetrahydro-1-phenyl-
  • 2,3,4,5-Tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diol
  • 5-21-05-00258 (Beilstein Handbook Reference)
  • BRN 1543419
  • SK&F 38393
  • SK&F-38393
  • SKF 38393
  • BPBio1_001229
  • SPECTRUM1505101
  • NCGC00024875-02
  • SKF-38393
  • Biomol-NT_000034
  • BSPBio_002384

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens dopamine receptor D1 Starlite/ChEMBL References
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Starlite/ChEMBL No references
Rattus norvegicus Dopamine D2 receptor Starlite/ChEMBL References
Homo sapiens dopamine receptor D5 Starlite/ChEMBL References
Rattus norvegicus Dopamine D1 receptor Starlite/ChEMBL References
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens adrenoceptor alpha 2C Starlite/ChEMBL References
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic 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) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana 6-phospho-1-fructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum 5-hydroxytryptamine receptor 1, putative Get druggable targets OG5_132667 All targets in OG5_132667
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania donovani ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum 5-hydroxytryptamine receptor, putative Get druggable targets OG5_132667 All targets in OG5_132667
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania braziliensis ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium ulcerans 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_134111 All targets in OG5_134111
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Dopamine receptor protein 1 Get druggable targets OG5_134111 All targets in OG5_134111
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans hypothetical protein Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum ko:K00850 6-phosphofructokinase [EC2.7.1.11], putative Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Dopamine D1 receptor   446 aa 357 aa 21.0 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Echinococcus granulosus biogenic amine 5HT receptor Dopamine D2 receptor   444 aa 429 aa 31.7 %
Schistosoma japonicum Octopamine receptor, putative Dopamine D2 receptor   444 aa 456 aa 29.4 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Schistosoma mansoni biogenic amine (5HT) receptor Dopamine D1 receptor   446 aa 394 aa 29.9 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Echinococcus multilocularis g protein coupled receptor Dopamine D2 receptor   444 aa 465 aa 21.5 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Echinococcus granulosus g protein coupled receptor Dopamine D2 receptor   444 aa 457 aa 21.0 %
Echinococcus multilocularis serotonin receptor Dopamine D2 receptor   444 aa 428 aa 31.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Dopamine D1 receptor   446 aa 407 aa 33.7 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Dopamine D2 receptor   444 aa 476 aa 24.2 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Dopamine D1 receptor   446 aa 366 aa 35.2 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Schistosoma mansoni biogenic amine (dopamine) receptor Dopamine D2 receptor   444 aa 494 aa 26.3 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Schistosoma mansoni biogenic amine receptor Dopamine D2 receptor   444 aa 452 aa 30.1 %
Schistosoma mansoni amine GPCR Dopamine D2 receptor   444 aa 424 aa 32.1 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Dopamine D2 receptor   444 aa 487 aa 23.8 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Dopamine D1 receptor   446 aa 373 aa 25.5 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Dopamine D2 receptor   444 aa 386 aa 19.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Onchocerca volvulus RB1-inducible coiled-coil protein 1 homolog Dopamine D2 receptor   444 aa 474 aa 23.4 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Onchocerca volvulus Dopamine D2 receptor   444 aa 418 aa 23.0 %
Loa Loa (eye worm) hypothetical protein Dopamine D1 receptor   446 aa 370 aa 24.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum histone deacetylase, putative 0.0688777 0.379718 0.795014
Loa Loa (eye worm) histone deacetylase 3 0.0834741 0.47029 0.454781
Brugia malayi histone deacetylase 11 0.0344033 0.1658 0.141376
Trypanosoma cruzi histone deacetylase 1, putative 0.0834741 0.47029 1
Entamoeba histolytica histone deacetylase, putative 0.0834741 0.47029 1
Trichomonas vaginalis CAMK family protein kinase 0.0597533 0.3231 0.666874
Loa Loa (eye worm) hypothetical protein 0.0344033 0.1658 0.141376
Loa Loa (eye worm) TTK protein kinase 0.0597533 0.3231 0.303282
Schistosoma mansoni histone deacetylase hda2 0.0344033 0.1658 0.228889
Giardia lamblia Histone deacetylase 0.0834741 0.47029 1
Loa Loa (eye worm) histone deacetylase 1 0.0834741 0.47029 0.454781
Schistosoma mansoni histone deacetylase 4 5 0.0688777 0.379718 0.770629
Schistosoma mansoni histone deacetylase 4 5 0.0688777 0.379718 0.770629
Trichomonas vaginalis AGC family protein kinase 0.0231179 0.0957723 0.152378
Echinococcus granulosus aurora kinase A 0.0231179 0.0957723 0.203645
Echinococcus granulosus histone deacetylase 6 0.0688777 0.379718 0.807412
Brugia malayi serine/threonine-protein kinase 6 0.0231179 0.0957723 0.0692988
Echinococcus multilocularis neuropeptide receptor 0.0198375 0.0754176 0.160364
Schistosoma mansoni histone deacetylase 1 2 3 0.0344033 0.1658 0.228889
Brugia malayi Histone deacetylase family protein 0.0688777 0.379718 0.361557
Brugia malayi serine/threonine kinase 12 0.0231179 0.0957723 0.0692988
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.0597533 0.3231 0.627247
Trichomonas vaginalis histone deacetylase, putative 0.0834741 0.47029 1
Echinococcus granulosus histone deacetylase 8 0.0344033 0.1658 0.352548
Trichomonas vaginalis histone deacetylase, putative 0.0834741 0.47029 1
Trichomonas vaginalis histone deacetylase, putative 0.0834741 0.47029 1
Plasmodium vivax histone deacetylase 1, putative 0.0834741 0.47029 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0834741 0.47029 1
Loa Loa (eye worm) histone deacetylase 11 0.0344033 0.1658 0.141376
Echinococcus multilocularis histone deacetylase 3 0.0834741 0.47029 1
Echinococcus multilocularis aurora kinase A 0.0231179 0.0957723 0.203645
Echinococcus multilocularis G protein coupled receptor 139 0.0198375 0.0754176 0.160364
Leishmania major histone deacetylase, putative 0.0834741 0.47029 1
Loa Loa (eye worm) histone deacetylase 7A 0.0688777 0.379718 0.361557
Loa Loa (eye worm) hypothetical protein 0.168841 1 1
Echinococcus multilocularis histone deacetylase 6 0.0706016 0.390415 0.830158
Plasmodium vivax histone deacetylase, putative 0.0688777 0.379718 0.795014
Trichomonas vaginalis CAMK family protein kinase 0.0597533 0.3231 0.666874
Toxoplasma gondii histone deacetylase HDAC2 0.0834741 0.47029 1
Loa Loa (eye worm) AUR protein kinase 0.0231179 0.0957723 0.0692988
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0231179 0.0957723 0.152378
Echinococcus granulosus histone deacetylase 0.0688777 0.379718 0.807412
Plasmodium falciparum histone deacetylase 1 0.0834741 0.47029 1
Leishmania major histone deacetylase, putative 0.0688777 0.379718 0.758163
Schistosoma mansoni histone deacetylase 0.0834741 0.47029 1
Trichomonas vaginalis histone deacetylase, putative 0.0834741 0.47029 1
Schistosoma mansoni serine/threonine protein kinase 0.0231179 0.0957723 0.0515478
Echinococcus granulosus histone deacetylase 6 0.0706016 0.390415 0.830158
Trypanosoma cruzi histone deacetylase, putative 0.0344033 0.1658 0.18698
Schistosoma mansoni histone deacetylase hda2 0.0706016 0.390415 0.797719
Brugia malayi serine/threonine protein kinase 6 0.0231179 0.0957723 0.0692988
Trichomonas vaginalis AGC family protein kinase 0.0231179 0.0957723 0.152378
Trypanosoma brucei histone deacetylase, putative 0.0688777 0.379718 0.758163
Loa Loa (eye worm) hypothetical protein 0.0344745 0.166241 0.141831
Onchocerca volvulus Histone deacetylase 10 homolog 0.0344033 0.1658 0.466155
Loa Loa (eye worm) hypothetical protein 0.0834741 0.47029 0.454781
Loa Loa (eye worm) AUR protein kinase 0.0231179 0.0957723 0.0692988
Giardia lamblia Kinase, TTK 0.0597533 0.3231 0.606988
Echinococcus granulosus histone deacetylase 1 0.0834741 0.47029 1
Trypanosoma cruzi histone deacetylase, putative 0.0688777 0.379718 0.758163
Leishmania major histone deacetylase, putative 0.0688777 0.379718 0.758163
Trichomonas vaginalis AGC family protein kinase 0.0231179 0.0957723 0.152378
Trypanosoma brucei histone deacetylase 3 0.0688777 0.379718 0.758163
Plasmodium falciparum histone deacetylase 2 0.0688777 0.379718 0.795014
Brugia malayi Dopamine receptor protein 1 0.034462 0.166164 0.141751
Leishmania major histone deacetylase, putative 0.0834741 0.47029 1
Echinococcus multilocularis histone deacetylase 1 0.0834741 0.47029 1
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0597533 0.3231 1
Echinococcus multilocularis histone deacetylase 6 0.0688777 0.379718 0.807412
Plasmodium falciparum serine/threonine protein kinase, putative 0.0231179 0.0957723 0.152378
Echinococcus multilocularis histone deacetylase 7 0.0688777 0.379718 0.807412
Plasmodium vivax histone deacetylase, putative 0.0344033 0.1658 0.310867
Loa Loa (eye worm) hypothetical protein 0.034462 0.166164 0.141751
Echinococcus granulosus histone deacetylase 3 0.0834741 0.47029 1
Brugia malayi Protein kinase domain containing protein 0.0597533 0.3231 0.303282
Trichomonas vaginalis histone deacetylase, putative 0.0834741 0.47029 1
Schistosoma mansoni histone deacetylase 0.0834741 0.47029 1
Toxoplasma gondii histone deacetylase HDAC3 0.0834741 0.47029 1
Trypanosoma cruzi histone deacetylase, putative 0.0344033 0.1658 0.18698
Echinococcus multilocularis histone deacetylase 0.0688777 0.379718 0.807412
Echinococcus multilocularis histone deacetylase 6 0.0688777 0.379718 0.807412
Schistosoma mansoni protein kinase 0.0231179 0.0957723 0.0515478
Trypanosoma cruzi histone deacetylase, putative 0.0688777 0.379718 0.758163
Echinococcus multilocularis histone deacetylase 8 0.0344033 0.1658 0.352548
Toxoplasma gondii histone deacetylase HDAC4 0.0344033 0.1658 0.310867
Trichomonas vaginalis histone deacetylase, putative 0.0834741 0.47029 1
Trichomonas vaginalis AGC family protein kinase 0.0231179 0.0957723 0.152378
Trypanosoma cruzi histone deacetylase 1, putative 0.0834741 0.47029 1
Echinococcus granulosus histone deacetylase 7 0.0688777 0.379718 0.807412
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0834741 0.47029 1
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.0597533 0.3231 0.687023
Loa Loa (eye worm) histone deacetylase 0.0688777 0.379718 0.361557
Toxoplasma gondii aurora kinase 0.0231179 0.0957723 0.152378
Brugia malayi Histone deacetylase 1 0.0834741 0.47029 0.454781
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0231179 0.0957723 0.203645
Loa Loa (eye worm) AUR protein kinase 0.0231179 0.0957723 0.0692988
Loa Loa (eye worm) hypothetical protein 0.0361984 0.176938 0.152841
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0231179 0.0957723 0.203645
Brugia malayi hypothetical protein 0.168841 1 1
Toxoplasma gondii histone deacetylase HDAC1 0.0688777 0.379718 0.795014
Brugia malayi histone deacetylase 3 (HD3) 0.0834741 0.47029 0.454781
Brugia malayi histone deacetylase 1 (HD1) 0.0834741 0.47029 0.454781
Brugia malayi Histone deacetylase family protein 0.0688777 0.379718 0.361557
Toxoplasma gondii histone deacetylase HDAC5 0.0344033 0.1658 0.310867
Trypanosoma brucei histone deacetylase 1 0.0834741 0.47029 1
Trypanosoma brucei histone deacetylase 4 0.0688777 0.379718 0.758163
Plasmodium vivax histone deacetylase 2, putative 0.0688777 0.379718 0.795014
Echinococcus granulosus histone deacetylase 6 0.0688777 0.379718 0.807412
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0834741 0.47029 1
Trypanosoma cruzi histone deacetylase, putative 0.0688777 0.379718 0.758163
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.0597533 0.3231 0.687023
Trypanosoma brucei histone deacetylase 2 0.0344033 0.1658 0.18698
Echinococcus granulosus neuropeptide receptor 0.0198375 0.0754176 0.160364

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 9 % Percent av maximum in dog was determined; Expressed as av max (%) ChEMBL. 6980283
Average max (functional) = 19 % Potency was expressed as the average maximum cumulative dose required to decearse renal vascular resistance by 15% ChEMBL. 7411552
cGMP content (functional) = 12.41 pmol/mg protein Amount of cGMP level in rat neostriatal membranes after incubation at 0.1 uM ChEMBL. 15801855
cGMP content (functional) = 17.41 pmol/mg protein Amount of cGMP level in rat neostriatal membranes after incubation at 1.0 uM ChEMBL. 15801855
cGMP content (functional) = 18.2 pmol/mg protein Amount of cGMP level in rat neostriatal membranes after incubation at 10 uM ChEMBL. 15801855
Change (functional) = -27 % Degradation rate constant for dopamine transporter by D1 receptor in nucleus accumbens was determined ChEMBL. 12723940
Change (functional) = -20 % Degradation rate constant for dopamine transporter by D1 receptor in nucleus accumbens was determined ChEMBL. 12723940
Change (functional) = 40 % Half life of recovery for dopamine transporter by D1 receptor in nucleus accumbens was determined ChEMBL. 12723940
Control (functional) = 0 % Percent of maximal inhibition by change of S2/S1 versus control at 1 microM for the cetylcholine (ACh) release as a model for Dopamine D2 receptor activation. ChEMBL. 1671417
Decrease (functional) = 18 % Maximum percent decrease in renal vascular resistance. ChEMBL. 2878077
EC50 (functional) Agonist activity at 5-HT1A receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of [35S]GTPgammaS binding by scintillation proximity assay ChEMBL. 23332346
EC50 (binding) = 5.86 Agonist activity at recombinant human alpha2c adrenergic receptor expressed in CHOK1 cells co-expressing Gqi5 assessed as induction of cytoplasmic calcium mobilization measured for 40 secs by fluorometric analysis ChEMBL. 25648685
EC50 (binding) = 0.000000032 M Tested for ability to stimulate dopamine sensitive adenylate cyclase in rat caudate homogenate ChEMBL. 6980283
EC50 (binding) = 0.000000071 M Tested for ability to stimulate dopamine sensitive adenylate cyclase in rat caudate homogenate ChEMBL. 6980283
EC50 (functional) = 8 M Central dopaminergic activity was determined by testing compound for dopamine agonist activity mediated by adenylase cyclase in rat ChEMBL. 7411552
EC50 (binding) = 247.5 nM [35S]GTP¿S Binding Assay BINDINGDB. No reference
EC50 (functional) = 300 nM Agonist activity at dopamine D1 receptor expressed in HEK293 cells by by [35S]GTPgammaS binding assay ChEMBL. 19559623
EC50 (functional) = 386 nM Formation of cAMP on Dopamine receptor D1 in vitro in carp retina ChEMBL. 1977907
EC50 (functional) > 10000 nM Formation of cAMP on Dopamine receptor D2 in vitro in rat intermediate lobe ChEMBL. 1977907
EC50 (functional) = 0.08 uM Compound was tested for its D-1 activity in rat caudate nuclei ChEMBL. 2878077
EC50 (functional) = 0.13 uM Agonist activity at dopamine D1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding by scintillation proximity assay ChEMBL. 23332346
EC50 (functional) = 0.17 uM Agonist activity at dopamine D1 receptor assessed as [35S]GTPgammaS binding in cell-based assay ChEMBL. 22748706
EC50 (functional) = 0.18 uM Agonist activity at D1 receptor (unknown origin) after 40 mins by [35S]GTP-gammaS binding assay ChEMBL. 25308766
ED15 (functional) = 25 ug kg-1 Compound was tested for its renal vasodilator activity in dogs. ChEMBL. 6980283
ED15 (functional) = 31 ug kg-1 Compound was tested for its renal vasodilator activity in dogs. ChEMBL. 6980283
ED15 (functional) = 31 ug kg-1 Effective Dose (ED15) required to decearse renal vascular resistance by 15% in anesthetized dogs administered intravenously ChEMBL. 7411552
ED15 (functional) = 35 ug kg-1 Renal vasodilator activity was determined in anesthetized dogs ChEMBL. 2878077
ED15 (functional) = 550 ug kg-1 Compound was tested for its renal vasodilator activity in dogs. ChEMBL. 6980283
ED20 (functional) = 1050 ug kg-1 cardiovascular activity was determined in anesthetized dogs.(Heart rate ) ChEMBL. 2878077
ED20 (functional) = 1717 ug kg-1 cardiovascular activity was determined in anesthetized dogs.(Mean arterial blood pressure) ChEMBL. 2878077
ED30 (functional) = 735 ug kg-1 Effective dose against Iliac vascular resistance (IVR) ChEMBL. 2878077
Emax (functional) Agonist activity at 5-HT1A receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of [35S]GTPgammaS binding by scintillation proximity assay ChEMBL. 23332346
Emax (binding) = 70 % Agonist activity at recombinant human alpha2c adrenergic receptor expressed in CHOK1 cells co-expressing Gqi5 assessed as induction of cytoplasmic calcium mobilization measured for 40 secs by fluorometric analysis relative to UK14304 ChEMBL. 25648685
Emax (binding) = 92 % Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation counting analysis ChEMBL. 25648685
Emax (functional) = 100 % Agonist activity at dopamine D1 receptor assessed as [35S]GTPgammaS binding in cell-based assay relative to control ChEMBL. 22748706
Emax (functional) = 100 % Agonist activity at dopamine D1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding by scintillation proximity assay ChEMBL. 23332346
IA (functional) = 61 % Percent intrinsic activity as formation of cAMP on Dopamine receptor D1 in vitro in carp retina ChEMBL. 1977907
IC50 (functional) Antagonist activity at dopamine D2 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of [35S]GTPgammaS binding by scintillation proximity assay ChEMBL. 23332346
IC50 (functional) = -4.8 Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR green assay ChEMBL. 19734910
IC50 (binding) = 190 nM Displacement of [3H]-SCH- 23390 (0.3 nM) from dopamine receptor D1 in crude membrane fraction of rat brain corpus striatum ChEMBL. 1533424
IC50 (binding) = 190 nM Displacement of [3H]-SCH- 23390 (0.3 nM) from dopamine receptor D1 in crude membrane fraction of rat brain corpus striatum ChEMBL. 1533424
IC50 (binding) = 720000 nM Displacement of [3H]-YM-09151-2 (60 pm) from dopamine receptor D2 in crude membrane fraction of rat brain corpus striatum ChEMBL. 1533424
IC50 (binding) = 720000 nM Displacement of [3H]-YM-09151-2 (60 pm) from dopamine receptor D2 in crude membrane fraction of rat brain corpus striatum ChEMBL. 1533424
IC50 (binding) = 33.86 uM Tested for Dopamine receptor activity by the inhibition against spiroperidol binding to rat caudate tissue. ChEMBL. 6980283
IC50 (binding) = 34.43 uM Tested for Dopamine receptor activity by the inhibition against spiroperidol binding to rat caudate tissue. ChEMBL. 6980283
IC50 (binding) = 197.4 uM Tested for Dopamine receptor activity by the inhibition against spiroperidol binding to rat caudate tissue. ChEMBL. 6980283
Imax (functional) Antagonist activity at dopamine D2 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of [35S]GTPgammaS binding by scintillation proximity assay ChEMBL. 23332346
Inhibition (binding) < 80 % Displacement of [3H]spiperone from dopamine D2 receptor expressed in HEK293 cells at 10 uM by liquid scintillation counting ChEMBL. 19559623
Inhibition (binding) < 80 % Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells at 10 uM by liquid scintillation counting ChEMBL. 19559623
Kd (binding) = 18 uM In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes. ChEMBL. 10956209
Kd (binding) = 39 uM In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes. ChEMBL. 10956209
Kd (binding) = 46 uM In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membranes. ChEMBL. 10956209
Kd (binding) = 135 uM In vitro affinity at mutant D2 receptor (S197A) in C6 (glioma) cell membranes. ChEMBL. 10956209
Ki (binding) Displacement of [3H]spiperone from human dopamine D2 receptor expressed in HEK293 cell membranes by liquid scintillation counting based competition binding assay ChEMBL. 25076379
Ki (binding) Displacement of [3H]8-OH-DPAT from rat 5HT1A receptor expressed in CHO cell membranes by liquid scintillation counting based competition binding assay ChEMBL. 25076379
Ki (binding) Displacement of [3H]spiperone from human dopamine D3 receptor expressed in HEK293 cell membranes by liquid scintillation counting based competition binding assay ChEMBL. 25076379
Ki (binding) Displacement of [3H]ketanserin from human 5HT2A receptor expressed in HEK293 cell membranes by liquid scintillation counting based competition binding assay ChEMBL. 25076379
Ki (binding) = 7.08 Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation counting analysis ChEMBL. 25648685
Ki (binding) = 64 nM Binding affinity was determined by measuring the ability to displace [125I]-SCH-23982 from Dopamine receptor D1 in rat caudate (in vitro) ChEMBL. 1977907
Ki (binding) = 64.1 nM Binding affinity was determined by measuring the ability to displace [125I]-SCH-23982 from Dopamine receptor D1 in rat caudate (in vitro) ChEMBL. 1977907
Ki (binding) = 130 nM Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey ChEMBL. 1956042
Ki (functional) = 190 nM Agonist activity at dopamine D1 receptor ChEMBL. 19559623
Ki (binding) = 393 nM Displacement of [3H]SCH23390 from dopamine D1 receptor expressed in HEK293 cells by liquid scintillation counting ChEMBL. 19559623
Ki (binding) = 393 nM Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cell membranes by liquid scintillation counting based competition binding assay ChEMBL. 25076379
Ki (binding) = 6500 nM Binding affinity against dopamine receptor D2 by using [3H]-spiperone as radioligand in caudate-putamen of monkey ChEMBL. 1956042
Ki (binding) = 6870 nM Binding affinity was determined by measuring the ability to displace [125I]-N-(p-aminophenethyl)-spiroperidol from Dopamine receptor D2 in rat caudate (in vitro) ChEMBL. 1977907
Ki (binding) = 720000 nM Binding affinity to dopamine D2 receptor ChEMBL. 19559623
Ki (binding) = 0.124 uM Displacement of [3H]SCH233930 from dopamine D5 receptor after 1.5 hrs by scintillation counting ChEMBL. 21907583
Max response (functional) = 27 % Compound was tested for maximum response , the percent of cyclic AMP induced by 1 x 10 E-4 M dopamine ChEMBL. 6980283
Max response (functional) = 66 % Compound was tested for maximum response , the percent of cyclic AMP induced by 1 x 10 E-5 M dopamine ChEMBL. 6980283
Max response (functional) = 68 % Compound was tested for maximum response , the percent of cyclic AMP induced by 1 x 10 E-5 M dopamine ChEMBL. 6980283
Potency (functional) 0.0461 uM PubChem BioAssay. HTS Assay for Allosteric Antagonists of the Human D2 Dopamine Receptor: Hit Validation in HTRF. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1835 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 1 uM PUBCHEM_BIOASSAY: HTS Assay for Allosteric Agonists of the Human D1 Dopamine Receptor: Primary Screen for Antagonists. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488989, AID488993, AID488995] ChEMBL. No reference
Potency (functional) 2.9935 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771, AID488773, AID587] ChEMBL. No reference
Potency (functional) 2.9935 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 3.0131 uM PUBCHEM_BIOASSAY: qHTS Validation Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) 4.7444 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 6.7016 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Validation Assay for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
RD500 (functional) = 0.18 mg kg-1 Central dopaminergic activity was determined by testing compound for its ability to produce contralateral rotation in lesioned rat after intracerebrally administration ChEMBL. 7411552
RD500 (functional) = 0.5 mg kg-1 Ability to induce contralateral rotations in rats having lesions in the substantia nigra. ChEMBL. 6980283
RD500 (functional) = 0.7 mg kg-1 Ability to induce contralateral rotations in rats having lesions in the substantia nigra. ChEMBL. 6980283
RD500 (functional) = 0.7 mg kg-1 Compound was tested for its CNS activity in vivo in SNx rats with 6-hydroxydopamine induced lesions after ip administration ChEMBL. 2878077
RD500 (functional) = 0.7 mg kg-1 Central dopaminergic activity was determined by testing compound for its ability to produce contralateral rotation in lesioned rat after ip administration ChEMBL. 7411552
RD500 (functional) = 50 mg kg-1 Ability to induce contralateral rotations in rats having lesions in the substantia nigra. ChEMBL. 6980283
RD500 (functional) = 0.18 ug rat-1 Compound was tested for its CNS activity in vivo in SNx rats with 6-hydroxydopamine induced lesions after ic administration ChEMBL. 2878077
RVR (functional) = 1 Renal vascular resistance (RVR) in dog was determined; Not statistically significant ChEMBL. 6980283
RVR (functional) = 18 Renal vascular resistance (RVR) in dog was determined ChEMBL. 6980283
RVR (functional) = 19 Renal vascular resistance (RVR) in dog was determined ChEMBL. 6980283
Selectivity (binding) = 50 Selectivity was calculated as ratio (D-1/D-2 or D-2/D1) of the corresponding Ki values of the compound ChEMBL. 1956042
Selectivity ratio (functional) = 10 Renal vasodilator activity of the compound was measured between ED20, measure of mean arterial blood pressure (MABP) test, and ED15 RVR. ChEMBL. 7411552
Selectivity ratio (functional) = 15 Renal vasodilator activity of the compound was measured between ED30, measure in iliac vascular resistance (IVR) test, and ED15 RVR ChEMBL. 7411552
Selectivity ratio (binding) > 100 D1 selectivity was defined as IC50(D2)/IC50(D1) ChEMBL. 1533424

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23 19734910

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

15 literature references were collected for this gene.

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