Detailed information for compound 282379

Basic information

Technical information
  • TDR Targets ID: 282379
  • Name: 4-[(E)-4-[2-(4-ethylphenyl)-6,6-dimethylcyclo hexen-1-yl]but-3-en-1-ynyl]benzoic acid
  • MW: 384.51 | Formula: C27H28O2
  • H donors: 1 H acceptors: 2 LogP: 7.05 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)C1=C(/C=C/C#Cc2ccc(cc2)C(=O)O)C(CCC1)(C)C
  • InChi: 1S/C27H28O2/c1-4-20-11-15-22(16-12-20)24-9-7-19-27(2,3)25(24)10-6-5-8-21-13-17-23(18-14-21)26(28)29/h6,10-18H,4,7,9,19H2,1-3H3,(H,28,29)/b10-6+
  • InChiKey: BIPSRDWDLVRJIU-UXBLZVDNSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[(E)-4-[2-(4-ethylphenyl)-6,6-dimethyl-cyclohexen-1-yl]but-3-en-1-ynyl]benzoic acid
  • 4-[(E)-4-[2-(4-ethylphenyl)-6,6-dimethyl-1-cyclohexenyl]but-3-en-1-ynyl]benzoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens retinoic acid receptor, beta Starlite/ChEMBL References
Homo sapiens retinoic acid receptor, alpha Starlite/ChEMBL References
Homo sapiens retinoic acid receptor, gamma Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131607 All targets in OG5_131607
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog Get druggable targets OG5_131607 All targets in OG5_131607
Loa Loa (eye worm) nuclear receptor nhr-7B Get druggable targets OG5_131607 All targets in OG5_131607
Brugia malayi nuclear hormone receptor Get druggable targets OG5_131607 All targets in OG5_131607
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi hypothetical protein 0.0263 0.0746 0.2925
Echinococcus granulosus jun protein 0.0093 0.0172 0.0172
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0048 0.0018 0.0054
Loa Loa (eye worm) hypothetical protein 0.0048 0.0018 0.0054
Brugia malayi von Willebrand factor type A domain containing protein 0.0056 0.0045 0.0158
Loa Loa (eye worm) hypothetical protein 0.0056 0.0045 0.0158
Onchocerca volvulus 0.0054 0.0038 0.0126
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.0048 1
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.0048 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0048 0.0018 0.0032
Loa Loa (eye worm) hypothetical protein 0.0048 0.0018 0.0054
Brugia malayi bZIP transcription factor family protein 0.0093 0.0172 0.0661
Schistosoma mansoni RAR-like nuclear receptor 0.0048 0.0018 0.0032
Brugia malayi MAP kinase sur-1 0.0057 0.0048 0.0171
Schistosoma mansoni lipoxygenase 0.0113 0.0241 0.0552
Echinococcus granulosus microtubule associated protein 2 0.0766 0.2453 0.2453
Loa Loa (eye worm) hypothetical protein 0.022 0.0602 0.2356
Loa Loa (eye worm) hypothetical protein 0.0207 0.0559 0.2186
Loa Loa (eye worm) hypothetical protein 0.016 0.0397 0.1547
Plasmodium vivax circumsporozoite- and TRAP-related protein, putative 0.0056 0.0045 0.0964
Brugia malayi von Willebrand factor type A domain containing protein 0.0056 0.0045 0.0158
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0068 0.0087 0.0087
Echinococcus multilocularis collagen alpha 1(VII) chain 0.0056 0.0045 0.0045
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0059 0.0058 0.0209
Onchocerca volvulus Bile acid receptor homolog 0.0048 0.0018 0.0052
Loa Loa (eye worm) hypothetical protein 0.0056 0.0045 0.0158
Echinococcus granulosus voltage dependent calcium channel subunit 0.1361 0.447 0.447
Loa Loa (eye worm) hypothetical protein 0.0048 0.0018 0.0054
Loa Loa (eye worm) hypothetical protein 0.022 0.0602 0.2356
Brugia malayi hypothetical protein 0.0056 0.0045 0.0158
Loa Loa (eye worm) hypothetical protein 0.016 0.0397 0.1547
Schistosoma mansoni serine-rich repeat protein 0.0703 0.2239 0.5224
Brugia malayi Carboxylesterase family protein 0.022 0.0602 0.2356
Echinococcus multilocularis lipoxygenase domain containing protein 0.0044 0.0005 0.0005
Leishmania major telomerase reverse transcriptase, putative 0.0166 0.0419 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0048 0.0018 0.0054
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0048 0.0018 0.0018
Brugia malayi Steroid receptor seven-up type 2 0.0048 0.0018 0.0054
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0817 0.2625 1
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0073 0.0105 0.1526
Brugia malayi photoreceptor-specific nuclear receptor 0.0048 0.0018 0.0054
Loa Loa (eye worm) hypothetical protein 0.0056 0.0045 0.0158
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0048 0.0018 0.0032
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0048 0.0018 0.0032
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0048 0.0018 0.0054
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0068 0.0087 0.0192
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0048 0.0018 0.0054
Echinococcus granulosus mitogen activated protein kinase 0.0057 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.005 0.0025 0.0079
Echinococcus granulosus metabotropic glutamate receptor 5 0.005 0.0025 0.0025
Loa Loa (eye worm) acetylcholinesterase 1 0.022 0.0602 0.2356
Brugia malayi steroid hormone receptor 0.0048 0.0018 0.0054
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0073 0.0105 0.0234
Echinococcus multilocularis ecdysone induced protein 78C 0.0048 0.0018 0.0018
Echinococcus granulosus biogenic amine 5HT receptor 0.016 0.0397 0.0397
Echinococcus multilocularis metabotropic glutamate receptor 5 0.005 0.0025 0.0025
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0048 0.0018 0.0018
Echinococcus multilocularis lipoxygenase domain containing protein 0.0044 0.0005 0.0005
Onchocerca volvulus 0.0056 0.0045 0.0153
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0048 0.0018 0.0018
Brugia malayi von Willebrand Factor 0.0056 0.0045 0.0158
Loa Loa (eye worm) CUTiclin-Like family member 0.0056 0.0045 0.0158
Onchocerca volvulus 0.0056 0.0045 0.0153
Echinococcus multilocularis mitogen activated protein kinase 3 0.0057 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0056 0.0045 0.0158
Onchocerca volvulus Telomerase reverse transcriptase homolog 0.0608 0.1918 0.73
Schistosoma mansoni hypothetical protein 0.0056 0.0045 0.0093
Loa Loa (eye worm) hypothetical protein 0.0048 0.0018 0.0054
Loa Loa (eye worm) hypothetical protein 0.0048 0.0018 0.0054
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0192 0.0508 0.0508
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0057 0.0048 0.009
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.0038 0.0131
Loa Loa (eye worm) hypothetical protein 0.0056 0.0045 0.0158
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0048 0.0018 0.0054
Echinococcus multilocularis thyroid hormone receptor alpha 0.0048 0.0018 0.0018
Echinococcus granulosus small conductance calcium activated potassium 0.0461 0.1418 0.1418
Treponema pallidum hypothetical protein 0.0056 0.0045 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.016 0.0397 0.0917
Giardia lamblia Telomerase catalytic subunit 0.0166 0.0419 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0048 0.0018 0.0054
Loa Loa (eye worm) von Willebrand factor domain-containing protein 0.0056 0.0045 0.0158
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0166 0.0419 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0068 0.0087 0.1041
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0048 0.0018 0.0018
Brugia malayi von Willebrand factor type A domain containing protein 0.0056 0.0045 0.0158
Loa Loa (eye worm) hypothetical protein 0.0048 0.0018 0.0054
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0048 0.0018 0.0018
Schistosoma mansoni retinoic acid receptor RXR 0.0048 0.0018 0.0032
Brugia malayi ecdysteroid receptor 0.0048 0.0018 0.0054
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0658 0.2087 0.4869
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0068 0.0087 0.0087
Echinococcus granulosus acetylcholinesterase 0.022 0.0602 0.0602
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0068 0.0087 0.0324
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0792 0.2539 1
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0046 0.0012 0.0017
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.0048 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0045 0.0158
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0048 0.0018 0.0054
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0048 0.0018 0.0018
Brugia malayi hypothetical protein 0.0073 0.0104 0.0394
Echinococcus multilocularis mitogen activated protein kinase 0.0057 0.0048 0.0048
Echinococcus multilocularis acetylcholinesterase 0.022 0.0602 0.0602
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0073 0.0105 0.0395
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0048 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0056 0.0045 0.0158
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0048 0.0018 0.0054
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0048 0.0018 0.0054
Plasmodium vivax telomerase reverse transcriptase, putative 0.0166 0.0419 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0045 0.0158
Brugia malayi Telomerase reverse transcriptase 0.0442 0.1354 0.5325
Echinococcus multilocularis voltage dependent calcium channel subunit 0.1361 0.447 0.447
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0073 0.0105 0.1526
Loa Loa (eye worm) von Willebrand factor type A domain-containing protein 0.0056 0.0045 0.0158
Schistosoma mansoni hypothetical protein 0.0703 0.2239 0.5224
Trypanosoma brucei telomerase reverse transcriptase 0.0166 0.0419 1
Echinococcus multilocularis carboxylesterase 5A 0.022 0.0602 0.0602
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0073 0.0105 0.0395
Schistosoma mansoni jun-related protein 0.0076 0.0113 0.0254
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0073 0.0105 0.1526
Schistosoma mansoni survival motor neuron protein 0.0054 0.0038 0.0077
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0048 0.0018 0.0018
Brugia malayi Carboxylesterase family protein 0.022 0.0602 0.2356
Loa Loa (eye worm) hypothetical protein 0.0056 0.0045 0.0158
Echinococcus multilocularis small conductance calcium activated potassium 0.0461 0.1418 0.1418
Plasmodium vivax hypothetical protein, conserved 0.0056 0.0045 0.0964
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0068 0.0087 0.5
Plasmodium falciparum von Willebrand factor A domain-related protein 0.0056 0.0045 0.0964
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0048 0.0018 0.0032
Echinococcus granulosus RUN 0.0044 0.0005 0.0005
Plasmodium vivax dynein-related AAA-type ATPase, putative 0.0056 0.0045 0.0964
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0048 0.0018 0.0054
Echinococcus granulosus acetylcholinesterase 0.022 0.0602 0.0602
Loa Loa (eye worm) hypothetical protein 0.0048 0.0018 0.0054
Loa Loa (eye worm) hypothetical protein 0.0056 0.0045 0.0158
Loa Loa (eye worm) hypothetical protein 0.0091 0.0164 0.0627
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0048 0.0018 0.0054
Brugia malayi nuclear receptor NHR-88 0.0048 0.0018 0.0054
Schistosoma mansoni thyroid hormone receptor 0.0048 0.0018 0.0032
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0048 0.0018 0.0054
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0048 0.0018 0.0054
Onchocerca volvulus 0.0073 0.0104 0.0381
Toxoplasma gondii RNA-directed DNA polymerase 0.0166 0.0419 1
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.0048 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0045 0.0158
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0068 0.0087 0.5
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0166 0.0419 1
Brugia malayi Cache domain containing protein 0.0603 0.1899 0.7472
Schistosoma mansoni microtubule-associated protein tau 0.0766 0.2453 0.5725
Echinococcus granulosus mitogen activated protein kinase 3 0.0057 0.0048 0.0048
Onchocerca volvulus 0.0048 0.0018 0.0052
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0192 0.0508 0.0508
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0048 0.0018 0.0054
Plasmodium vivax von Willebrand factor A domain-related protein, putative 0.0056 0.0045 0.0964
Loa Loa (eye worm) hypothetical protein 0.0231 0.0639 0.2503
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0056 0.0045 0.0158
Brugia malayi von Willebrand factor type A domain containing protein 0.0056 0.0045 0.0158
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0048 0.0018 0.0018
Echinococcus multilocularis jun protein 0.0093 0.0172 0.0172
Schistosoma mansoni calcium-activated potassium channel 0.0461 0.1418 0.3304
Echinococcus granulosus FTZ F1 alpha 0.0048 0.0018 0.0018
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0048 0.0018 0.0054
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0093 0.0172 0.0172
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0048 0.0018 0.0018
Echinococcus multilocularis Polycystic kidney disease protein 0.0044 0.0005 0.0005
Brugia malayi von Willebrand factor type A domain containing protein 0.0056 0.0045 0.0158
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0057 0.0048 0.0171
Echinococcus granulosus survival motor neuron protein 1 0.0263 0.0746 0.0746
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0073 0.0105 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0044 0.0005 0.0005
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0073 0.0105 0.0105
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.022 0.0602 0.1396
Brugia malayi Zona pellucida-like domain containing protein 0.0056 0.0045 0.0158
Schistosoma mansoni hypothetical protein 0.0076 0.0113 0.0254
Loa Loa (eye worm) hypothetical protein 0.0263 0.0746 0.2925
Echinococcus granulosus collagen alpha 1VII chain 0.0056 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.0603 0.1899 0.7472
Schistosoma mansoni thyroid hormone receptor 0.0048 0.0018 0.0032
Brugia malayi von Willebrand factor type A domain containing protein 0.0056 0.0045 0.0158
Echinococcus granulosus ecdysone induced protein 78C 0.0048 0.0018 0.0018
Echinococcus multilocularis FTZ F1 alpha 0.0048 0.0018 0.0018
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0073 0.0105 0.1526
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0048 0.0018 0.0054
Onchocerca volvulus Protein ultraspiracle homolog 0.0048 0.0018 0.0052
Echinococcus granulosus Polycystic kidney disease protein 0.0044 0.0005 0.0005
Echinococcus multilocularis survival motor neuron protein 1 0.0263 0.0746 0.0746
Brugia malayi von Willebrand factor type A domain containing protein 0.0056 0.0045 0.0158
Echinococcus multilocularis acetylcholinesterase 0.022 0.0602 0.0602
Brugia malayi nuclear hormone receptor 0.0048 0.0018 0.0054
Plasmodium falciparum circumsporozoite- and TRAP-related protein 0.0056 0.0045 0.0964
Loa Loa (eye worm) hypothetical protein 0.0769 0.2463 0.9698
Loa Loa (eye worm) carboxylesterase 0.022 0.0602 0.2356
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0068 0.0087 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0048 0.0018 0.0054
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0048 0.0018 0.0018
Schistosoma mansoni amine GPCR 0.0368 0.1104 0.2571
Loa Loa (eye worm) CUTiclin family member 0.0056 0.0045 0.0158
Brugia malayi Nuclear hormone receptor-like 1 0.0048 0.0018 0.0054
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0048 0.0018 0.0054
Schistosoma mansoni hypothetical protein 0.0056 0.0045 0.0093
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0093 0.0172 0.0172
Loa Loa (eye worm) hypothetical protein 0.0048 0.0018 0.0054
Onchocerca volvulus 0.0056 0.0045 0.0153
Schistosoma mansoni hypothetical protein 0.0461 0.1418 0.3304
Onchocerca volvulus 0.0056 0.0045 0.0153
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0048 0.0018 0.0018
Echinococcus multilocularis RUN 0.0044 0.0005 0.0005
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0048 0.0018 0.0032
Loa Loa (eye worm) hypothetical protein 0.0461 0.1418 0.5574
Schistosoma mansoni serine/threonine protein kinase 0.0057 0.0048 0.0101
Echinococcus multilocularis serotonin receptor 0.016 0.0397 0.0397
Loa Loa (eye worm) hypothetical protein 0.0056 0.0045 0.0158
Brugia malayi Immunoglobulin I-set domain containing protein 0.0056 0.0045 0.0158
Schistosoma mansoni coup transcription factor 0.0048 0.0018 0.0032
Plasmodium vivax thrombospondin-related anonymous protein 0.0056 0.0045 0.0964
Echinococcus multilocularis serotonin receptor 0.016 0.0397 0.0397
Echinococcus granulosus lipoxygenase domain containing protein 0.0044 0.0005 0.0005
Loa Loa (eye worm) steroid hormone receptor 0.0048 0.0018 0.0054
Loa Loa (eye worm) hypothetical protein 0.0056 0.0045 0.0158
Brugia malayi Zona pellucida-like domain containing protein 0.0056 0.0045 0.0158
Treponema pallidum 76K protein 0.0056 0.0045 0.5
Schistosoma mansoni calcium-activated potassium channel 0.0438 0.1341 0.3126
Brugia malayi von Willebrand factor type A domain containing protein 0.0056 0.0045 0.0158
Echinococcus granulosus carboxylesterase 5A 0.022 0.0602 0.0602
Onchocerca volvulus 0.0056 0.0045 0.0153
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0048 0.0018 0.0054
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.1306 0.4281 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0048 0.0018 0.0032
Schistosoma mansoni lipoxygenase 0.0192 0.0508 0.1177
Schistosoma mansoni nuclear hormone receptor 0.0048 0.0018 0.0032
Brugia malayi nuclear hormone receptor 0.0792 0.2539 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0073 0.0105 0.0105
Onchocerca volvulus 0.0056 0.0045 0.0153
Onchocerca volvulus 0.0056 0.0045 0.0153
Plasmodium falciparum thrombospondin-related anonymous protein 0.0056 0.0045 0.0964
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0048 0.0018 0.0018
Echinococcus multilocularis microtubule associated protein 2 0.0766 0.2453 0.2453
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0048 0.0018 0.0054
Loa Loa (eye worm) hypothetical protein 0.0056 0.0045 0.0158
Plasmodium falciparum telomerase reverse transcriptase 0.0166 0.0419 1
Echinococcus multilocularis voltage dependent calcium channel subunit 0.2993 1 1
Schistosoma mansoni hypothetical protein 0.0054 0.0038 0.0077
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0048 0.0018 0.0032

Activities

Activity type Activity value Assay description Source Reference
Efficacy (binding) = 95 % Efficacy of TTNPB (10 nM) function at retinoic acid receptor gamma (10 uM) ChEMBL. 11277515
Efficacy (binding) = 95 % Efficacy of TTNPB (10 nM) function at retinoic acid receptor gamma (10 uM) ChEMBL. 11277515
Efficacy (binding) = 96 % Efficacy of TTNPB (10 nM) function at retinoic acid receptor beta (10 uM) ChEMBL. 11277515
Efficacy (binding) = 96 % Efficacy of TTNPB (10 nM) function at retinoic acid receptor beta (10 uM) ChEMBL. 11277515
Efficacy (binding) = 97 % Efficacy of TTNPB (10 nM) function at retinoic acid receptor alpha (10 uM) ChEMBL. 11277515
Efficacy (binding) = 97 % Efficacy of TTNPB (10 nM) function at retinoic acid receptor alpha (10 uM) ChEMBL. 11277515
IC50 (functional) = 3 nM Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor gamma ChEMBL. 11277515
IC50 (functional) = 3 nM Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor gamma ChEMBL. 11277515
IC50 (functional) = 40 nM Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor beta ChEMBL. 11277515
IC50 (functional) = 40 nM Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor beta ChEMBL. 11277515
IC50 (functional) = 220 nM Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor alpha ChEMBL. 11277515
IC50 (functional) = 220 nM Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor alpha ChEMBL. 11277515
Kd (binding) = 4 nM Binding affinity towards retinoic acid receptor beta was determined using [3H]-ATRA (5 nM) as radioligand ChEMBL. 11277515
Kd (binding) = 4 nM Binding affinity towards retinoic acid receptor beta was determined using [3H]-ATRA (5 nM) as radioligand ChEMBL. 11277515
Kd (binding) = 36 nM Binding affinity towards retinoic acid receptor gamma was determined using [3H]-ATRA (5 nM) as radioligand ChEMBL. 11277515
Kd (binding) = 36 nM Binding affinity towards retinoic acid receptor gamma was determined using [3H]-ATRA (5 nM) as radioligand ChEMBL. 11277515
Kd (binding) = 136 nM Binding affinity towards retinoic acid receptor alpha was determined using [3H]-ATRA (5 nM) as radioligand ChEMBL. 11277515
Kd (binding) = 136 nM Binding affinity towards retinoic acid receptor alpha was determined using [3H]-ATRA (5 nM) as radioligand ChEMBL. 11277515

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

1 literature reference was collected for this gene.

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