Detailed information for compound 254609

Basic information

Technical information
  • TDR Targets ID: 254609
  • Name: 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalen e-2-carboxylic acid
  • MW: 412.52 | Formula: C28H28O3
  • H donors: 1 H acceptors: 2 LogP: 7.7 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1C12CC3CC(C2)CC(C1)C3)c1ccc2c(c1)ccc(c2)C(=O)O
  • InChi: 1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)
  • InChiKey: LZCDAPDGXCYOEH-UHFFFAOYSA-N  


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Synonyms

  • Adapalene
  • Adapaleno [INN-Spanish]
  • Adapalenum [INN-Latin]
  • 6-[3-(1-adamantyl)-4-methoxy-phenyl]naphthalene-2-carboxylic acid
  • 6-[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthalenecarboxylic acid
  • 6-[3-(1-adamantyl)-4-methoxy-phenyl]-2-naphthoic acid
  • 106685-40-9
  • MLS000759463
  • SMR000466349
  • Adapalene (JAN/USAN/INN)
  • NCGC00164617-01
  • Differin (TN)
  • 2-Naphthalenecarboxylic acid, 6-(4-methoxy-3-tricyclo(3.3.1.1(sup 3,7))dec-1-ylphenyl)-
  • 6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic acid
  • Adapalene [USAN:BAN:INN]
  • CD 271
  • Differin
  • D01112

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens retinoic acid receptor, beta Starlite/ChEMBL References
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase No references
Homo sapiens retinoic acid receptor, gamma Starlite/ChEMBL References
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens retinoic acid receptor, alpha Starlite/ChEMBL References
Homo sapiens peroxisome proliferator-activated receptor delta Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Rattus norvegicus Peripheral myelin protein 22 Starlite/ChEMBL No references
Homo sapiens glycine receptor, alpha 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis 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
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi Cation transporter family protein Get druggable targets OG5_128286 All targets in OG5_128286
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative Get druggable targets OG5_128286 All targets in OG5_128286
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 multilocularis glycine receptor subunit beta Get druggable targets OG5_128286 All targets in OG5_128286
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana 6-phospho-1-fructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative 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
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit Get druggable targets OG5_128286 All targets in OG5_128286
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis glycine receptor subunit alpha 1 Get druggable targets OG5_128286 All targets in OG5_128286
Brugia malayi nuclear hormone receptor Get druggable targets OG5_131607 All targets in OG5_131607
Echinococcus granulosus glycine receptor subunit alpha 1 Get druggable targets OG5_128286 All targets in OG5_128286
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis Cys loop ligand gated ion channel subunit Get druggable targets OG5_128286 All targets in OG5_128286
Schistosoma mansoni Cys-loop ligand gated ion channel subunit Get druggable targets OG5_128286 All targets in OG5_128286
Candida albicans hypothetical protein Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) nuclear receptor nhr-7B Get druggable targets OG5_131607 All targets in OG5_131607
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus glycine receptor subunit alpha 1 Get druggable targets OG5_128286 All targets in OG5_128286
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis glycine receptor subunit alpha 1 Get druggable targets OG5_128286 All targets in OG5_128286
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128286 All targets in OG5_128286
Leishmania donovani ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) Get druggable targets OG5_126758 All targets in OG5_126758
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131607 All targets in OG5_131607
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus glycine receptor subunit beta Get druggable targets OG5_128286 All targets in OG5_128286
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania major ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi 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
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus granulosus 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis glycine receptor subunit beta Get druggable targets OG5_128286 All targets in OG5_128286
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Glycine receptor subunit alpha-3 precursor, putative Get druggable targets OG5_128286 All targets in OG5_128286
Echinococcus granulosus glycine receptor subunit alpha 1 Get druggable targets OG5_128286 All targets in OG5_128286
Echinococcus granulosus Cys loop ligand gated ion channel subunit Get druggable targets OG5_128286 All targets in OG5_128286
Schistosoma mansoni Cys-loop ligand gated ion channel subunit Get druggable targets OG5_128286 All targets in OG5_128286
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus glycine receptor subunit beta Get druggable targets OG5_128286 All targets in OG5_128286
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128286 All targets in OG5_128286
Echinococcus granulosus Cys loop ligand gated ion channel subunit Get druggable targets OG5_128286 All targets in OG5_128286
Trypanosoma congolense ATP-dependent 6-phosphofructokinase, glycosomal 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
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog Get druggable targets OG5_131607 All targets in OG5_131607
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative Get druggable targets OG5_128286 All targets in OG5_128286
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi 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
Schistosoma japonicum ko:K00850 6-phosphofructokinase [EC2.7.1.11], putative Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) GABA receptor subunit Get druggable targets OG5_128286 All targets in OG5_128286
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) intermediate filament tail domain-containing protein 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) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum ko:K05195 glycine receptor, alpha 3, putative Get druggable targets OG5_128286 All targets in OG5_128286
Mycobacterium ulcerans 6-phosphofructokinase 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
Schistosoma japonicum Lamin-C, putative 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 Cys-loop ligand gated ion channel subunit Get druggable targets OG5_128286 All targets in OG5_128286
Leishmania braziliensis ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum ko:K05194 glycine receptor, alpha 2, putative Get druggable targets OG5_128286 All targets in OG5_128286
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 multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis Cys loop ligand gated ion channel subunit Get druggable targets OG5_128286 All targets in OG5_128286
Echinococcus multilocularis glycine receptor subunit alpha 1 Get druggable targets OG5_128286 All targets in OG5_128286
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit Get druggable targets OG5_128286 All targets in OG5_128286
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (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
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Brugia malayi excitatory GABA receptor EXP-1A glycine receptor, alpha 1 449 aa 441 aa 29.5 %
Brugia malayi ecdysteroid receptor peroxisome proliferator-activated receptor delta 441 aa 369 aa 24.7 %
Brugia malayi hypothetical protein Peripheral myelin protein 22   160 aa 129 aa 25.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0049 0.0001 0.0001
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.1073 0.5
Echinococcus granulosus FTZ F1 alpha 0.0049 0.0001 0.0001
Echinococcus granulosus glycine receptor subunit alpha 1 0.0073 0.0309 0.0332
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0049 0.0001 0.0002
Echinococcus granulosus glutamate NMDA receptor subunit 0.0155 0.138 0.1483
Brugia malayi fructose-1,6-bisphosphatase 0.0339 0.3777 0.3908
Brugia malayi photoreceptor-specific nuclear receptor 0.0049 0.0001 0.0001
Echinococcus multilocularis glycine receptor subunit beta 0.0073 0.0309 0.0332
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0073 0.0309 0.0332
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0144 0.1235 0.1327
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.1073 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0049 0.0001 0.0001
Brugia malayi Cation transporter family protein 0.0073 0.0309 0.032
Echinococcus multilocularis glutamate receptor NMDA 0.0426 0.4905 0.527
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0049 0.0001 0.0001
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0049 0.0001 0.0001
Schistosoma mansoni RAR-like nuclear receptor 0.0049 0.0001 0.0002
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.1073 0.1584
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0049 0.0001 0.0002
Echinococcus multilocularis glutamate receptor 2 0.0095 0.0602 0.0647
Brugia malayi Nuclear hormone receptor-like 1 0.0049 0.0001 0.0001
Schistosoma mansoni hypothetical protein 0.0205 0.2026 0.2992
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0049 0.0001 0.0001
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0144 0.1235 0.1327
Brugia malayi Steroid receptor seven-up type 2 0.0049 0.0001 0.0001
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0095 0.0602 0.0647
Echinococcus multilocularis thyroid hormone receptor alpha 0.0049 0.0001 0.0001
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0049 0.0001 0.0001
Schistosoma mansoni hypothetical protein 0.0062 0.0178 0.0263
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0144 0.1235 0.1327
Onchocerca volvulus Protein ultraspiracle homolog 0.0049 0.0001 0.0001
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0049 0.0001 0.0001
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.1073 0.111
Loa Loa (eye worm) hypothetical protein 0.0073 0.0309 0.032
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0095 0.0602 0.0647
Schistosoma mansoni glutamate receptor kainate 0.0095 0.0602 0.0889
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0131 0.1073 0.5
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0339 0.3777 0.4058
Loa Loa (eye worm) glutamate receptor 2 0.0095 0.0602 0.0623
Schistosoma mansoni ATP-binding cassette transporter 0.0095 0.0602 0.0889
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0064 0.0204 0.0211
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0073 0.0309 0.0457
Brugia malayi 6-phosphofructokinase 0.0131 0.1073 0.111
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0095 0.0602 0.0647
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0049 0.0001 0.0001
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.1073 0.2841
Echinococcus granulosus ecdysone induced protein 78C 0.0049 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0049 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0049 0.0001 0.0001
Loa Loa (eye worm) GABA receptor subunit 0.0066 0.0219 0.0227
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0792 0.9665 1
Toxoplasma gondii fructose-bisphospatase II 0.0339 0.3777 1
Echinococcus granulosus geminin 0.0205 0.2026 0.2177
Echinococcus granulosus glutamate receptor subunit protein glur 0.0095 0.0602 0.0647
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0144 0.1235 0.1327
Schistosoma mansoni hypothetical protein 0.0095 0.0602 0.0889
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0144 0.1235 0.1327
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0049 0.0001 0.0001
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0049 0.0001 0.0002
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0064 0.0204 0.0219
Brugia malayi steroid hormone receptor 0.0049 0.0001 0.0001
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0073 0.0309 0.032
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0073 0.0309 0.0332
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0064 0.0204 0.0219
Echinococcus multilocularis NMDA receptor 0.0095 0.0602 0.0647
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0073 0.0309 0.0457
Echinococcus granulosus nmda type glutamate receptor 0.0475 0.5538 0.5951
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0244 0.2533 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0049 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0049 0.0001 0.0001
Schistosoma mansoni retinoic acid receptor RXR 0.0049 0.0001 0.0002
Brugia malayi nuclear receptor NHR-88 0.0049 0.0001 0.0001
Brugia malayi nuclear hormone receptor 0.0049 0.0001 0.0001
Schistosoma mansoni glutamate receptor kainate 0.0095 0.0602 0.0889
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0049 0.0001 0.0001
Schistosoma mansoni thyroid hormone receptor 0.0049 0.0001 0.0002
Schistosoma mansoni hypothetical protein 0.0205 0.2026 0.2992
Schistosoma mansoni glutamate receptor AMPA 0.0095 0.0602 0.0889
Schistosoma mansoni glutamate receptor AMPA 0.0095 0.0602 0.0889
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0339 0.3777 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0049 0.0001 0.0001
Echinococcus granulosus glycine receptor subunit alpha 1 0.0073 0.0309 0.0332
Brugia malayi ecdysteroid receptor 0.0049 0.0001 0.0001
Chlamydia trachomatis glutamine binding protein 0.0244 0.2533 0.5
Brugia malayi Glutamate receptor 1 precursor 0.0095 0.0602 0.0623
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0095 0.0602 0.0647
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0066 0.0219 0.0227
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0095 0.0602 0.0647
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0095 0.0602 0.0647
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0049 0.0001 0.0001
Echinococcus multilocularis nmda type glutamate receptor 0.0475 0.5538 0.5951
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0339 0.3777 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0049 0.0001 0.0001
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0049 0.0001 0.0002
Loa Loa (eye worm) hypothetical protein 0.0049 0.0001 0.0001
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0339 0.3769 0.4049
Trypanosoma brucei fructose-1,6-bisphosphatase 0.0339 0.3777 1
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0244 0.2533 0.5
Schistosoma mansoni nuclear hormone receptor 0.0049 0.0001 0.0002
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0244 0.2533 1
Loa Loa (eye worm) hypothetical protein 0.0769 0.9365 0.969
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0049 0.0001 0.0001
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0049 0.0001 0.0001
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.1073 1
Leishmania major ATP-dependent phosphofructokinase 0.0131 0.1073 0.2841
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0073 0.0309 0.0332
Echinococcus granulosus glutamate receptor 2 0.0144 0.1235 0.1327
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.1073 0.0239
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0339 0.3777 0.4058
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.1073 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0049 0.0001 0.0001
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0049 0.0001 0.0001
Onchocerca volvulus 0.0049 0.0001 0.0001
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0073 0.0309 0.0457
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0064 0.0204 0.0211
Loa Loa (eye worm) hypothetical protein 0.0049 0.0001 0.0001
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0339 0.3777 0.3908
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.1073 1
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.1073 1
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0073 0.0309 0.0332
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0049 0.0001 0.0001
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0049 0.0001 0.0001
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0155 0.138 0.1483
Schistosoma mansoni glutamate receptor NMDA 0.057 0.6774 1
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.1073 0.1584
Echinococcus granulosus glycine receptor subunit beta 0.0073 0.0309 0.0332
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0049 0.0001 0.0001
Brugia malayi nuclear hormone receptor 0.0792 0.9665 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0049 0.0001 0.0001
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0049 0.0001 0.0002
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0244 0.2533 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0049 0.0001 0.0001
Echinococcus multilocularis glutamate receptor 2 0.0144 0.1235 0.1327
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0049 0.0001 0.0001
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0049 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0049 0.0001 0.0001
Echinococcus granulosus 6 phosphofructokinase 0.0131 0.1073 0.1153
Echinococcus multilocularis FTZ F1 alpha 0.0049 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0049 0.0001 0.0001
Brugia malayi Glutamate receptor 2 precursor 0.0095 0.0602 0.0623
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0126 0.1007 0.2665
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0144 0.1235 0.1327
Schistosoma mansoni fructose-16-bisphosphatase-related 0.0339 0.3777 0.5576
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0049 0.0001 0.0001
Loa Loa (eye worm) steroid hormone receptor 0.0049 0.0001 0.0001
Echinococcus multilocularis glycine receptor subunit beta 0.0073 0.0309 0.0332
Brugia malayi phosphofructokinase 0.0131 0.1073 0.111
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0049 0.0001 0.0001
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0244 0.2533 1
Loa Loa (eye worm) glutamate receptor 1 0.0095 0.0602 0.0623
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0144 0.1235 0.1327
Echinococcus multilocularis nmda type glutamate receptor 0.0765 0.9307 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0049 0.0001 0.0002
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0049 0.0001 0.0002
Schistosoma mansoni glutamate receptor NMDA 0.0155 0.138 0.2037
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.1073 0.5
Echinococcus granulosus nmda type glutamate receptor 0.0765 0.9307 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0049 0.0001 0.0001
Echinococcus granulosus glycine receptor subunit alpha 1 0.0073 0.0309 0.0332
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0049 0.0001 0.0001
Echinococcus multilocularis 6 phosphofructokinase 0.0131 0.1073 0.1153
Schistosoma mansoni thyroid hormone receptor 0.0049 0.0001 0.0002
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.1073 0.111
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0144 0.1235 0.1327
Schistosoma mansoni coup transcription factor 0.0049 0.0001 0.0002
Echinococcus multilocularis ecdysone induced protein 78C 0.0049 0.0001 0.0001
Brugia malayi 6-phosphofructokinase 0.0131 0.1073 0.111
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0073 0.0309 0.0332
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0126 0.1007 0.2665
Echinococcus granulosus glycine receptor subunit beta 0.0073 0.0309 0.0332
Schistosoma mansoni glutamate receptor kainate 0.0095 0.0602 0.0889
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0049 0.0001 0.0001
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0049 0.0001 0.0001
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0049 0.0001 0.0001
Echinococcus multilocularis geminin 0.0205 0.2026 0.2177
Loa Loa (eye worm) hypothetical protein 0.0049 0.0001 0.0001
Leishmania major 0.0339 0.3777 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0049 0.0001 0.0001
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0049 0.0001 0.0001
Echinococcus granulosus glutamate receptor NMDA 0.0426 0.4905 0.527
Loa Loa (eye worm) phosphofructokinase 0.0131 0.1073 0.111
Loa Loa (eye worm) hypothetical protein 0.0066 0.0219 0.0227

Activities

Activity type Activity value Assay description Source Reference
%max (binding) = 260 % Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed as induction of glycine-activated currents at 10 uM after 1 to 4 days by two-electrode voltage clamp assay relative to control ChEMBL. 25790278
AC50 (functional) = 37 nM In vitro promotion of plasminogen activator secretion from F9 (murine teratocarcinoma) cells. ChEMBL. 8544175
AC50 (functional) = 37 nM Compound was tested for its ability to induce differentiation of F9 cells as estimated by plasminogen activator secretion (PA) ChEMBL. No reference
AC50 (functional) = 37 nM In vitro promotion of plasminogen activator secretion from F9 (murine teratocarcinoma) cells. ChEMBL. 8544175
Activity (binding) Modulation of human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as effect on acetylcholine-induced currents at 10 uM after 1 to 4 days by two-electrode voltage clamp assay relative to control ChEMBL. 25790278
Activity (functional) Evaluated for RXR-alpha functional transcriptional activation; NA means not active at 1 uM ChEMBL. No reference
Activity (binding) = 172 % Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed as induction of glycine-activated currents at 1 uM after 1 to 4 days by two-electrode voltage clamp assay relative to control ChEMBL. 25790278
EC50 (binding) = 1.3 uM Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed as induction of glycine-activated currents after 1 to 4 days by two-electrode voltage clamp assay ChEMBL. 25790278
Ki (binding) = 34 nM Binding affinity to retinoic acid receptor beta using [3H]-CD 367 as radioligand ChEMBL. 8544175
Ki (binding) = 34 nM Binding affinity towards Retinoic acid receptor beta ChEMBL. No reference
Ki (binding) = 34 nM Binding affinity to retinoic acid receptor beta using [3H]-CD 367 as radioligand ChEMBL. 8544175
Ki (binding) = 130 nM Binding affinity to retinoic acid receptor (RAR) gamma using [3H]-CD 367 as radioligand ChEMBL. 8544175
Ki (binding) = 130 nM Binding affinity towards Retinoic acid receptor gamma ChEMBL. No reference
Ki (binding) = 130 nM Binding affinity to retinoic acid receptor (RAR) gamma using [3H]-CD 367 as radioligand ChEMBL. 8544175
Ki (binding) = 1100 nM Binding affinity to retinoic acid receptor alpha using [3H]-CD 367 as radioligand ChEMBL. 8544175
Ki (binding) = 1100 nM Binding affinity towards Retinoic acid receptor alpha ChEMBL. No reference
Ki (binding) = 1100 nM Binding affinity to retinoic acid receptor alpha using [3H]-CD 367 as radioligand ChEMBL. 8544175
Potency (functional) 0.1142 uM PUBCHEM_BIOASSAY: S16 Schwann cell PMP22 intronic element firefly luciferase assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.1886 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.4384 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the peroxisome proliferator-activated receptor delta (PPARd) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1147 uM PUBCHEM_BIOASSAY: S16 Schwann cell PMP22 intronic element beta-lactamase assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase: hit validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485367, AID485368, AID488768] ChEMBL. No reference
Potency (functional) 21.3138 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the NFkB signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.7083 uM PubChem BioAssay: Tox21. qHTS assay for small molecule activators of the heat shock response signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bloom's syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 2386 (Probe Development Summary for Inhibitors of Bloom's syndrome helicase (BLM)), 594 (Rhodamine region spectral profiling screen), 2364 (qHTS Validation Assay for Inhibitors of Bloom's syndrome helicase (BLM))] ChEMBL. No reference
Potency (functional) 29.847 uM PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: Confirmation Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485290, AID485312, AID504464, AID504474] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of USP1/UAF1: Pilot qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504878] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 8544175

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

2 literature references were collected for this gene.

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