Detailed information for compound 1775967

Basic information

Technical information
  • TDR Targets ID: 1775967
  • Name: (E)-3-(2-methoxyphenyl)-1-thiophen-2-ylprop-2 -en-1-one
  • MW: 244.309 | Formula: C14H12O2S
  • H donors: 0 H acceptors: 1 LogP: 3.68 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1/C=C/C(=O)c1cccs1
  • InChi: 1S/C14H12O2S/c1-16-13-6-3-2-5-11(13)8-9-12(15)14-7-4-10-17-14/h2-10H,1H3/b9-8+
  • InChiKey: QRMITMXJSQXKJS-CMDGGOBGSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(2-methoxyphenyl)-1-thiophen-2-ylprop-2-en-1-one
  • (E)-3-(2-methoxyphenyl)-1-(2-thienyl)prop-2-en-1-one
  • 3-(2-methoxyphenyl)-1-(2-thienyl)prop-2-en-1-one
  • (E)-3-(2-methoxyphenyl)-1-thiophen-2-yl-prop-2-en-1-one
  • 3-(2-methoxyphenyl)-1-thiophen-2-yl-prop-2-en-1-one
  • 7T-0034
  • ZINC05008635

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Photuris pennsylvanica Luciferase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Leishmania major 4-coumarate:coa ligase-like protein Get druggable targets OG5_126609 All targets in OG5_126609
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase Get druggable targets OG5_126609 All targets in OG5_126609
Brugia malayi AMP-binding enzyme family protein Get druggable targets OG5_126609 All targets in OG5_126609
Entamoeba histolytica acyl-CoA synthetase, putative Get druggable targets OG5_126609 All targets in OG5_126609
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) Get druggable targets OG5_126609 All targets in OG5_126609
Brugia malayi AMP-binding enzyme family protein Get druggable targets OG5_126609 All targets in OG5_126609
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126609 All targets in OG5_126609
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) Get druggable targets OG5_126609 All targets in OG5_126609
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase Get druggable targets OG5_126609 All targets in OG5_126609
Leishmania donovani 4-coumarate:coa ligase-like protein Get druggable targets OG5_126609 All targets in OG5_126609
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) Get druggable targets OG5_126609 All targets in OG5_126609
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) Get druggable targets OG5_126609 All targets in OG5_126609
Entamoeba histolytica acyl-coA synthetase, putative Get druggable targets OG5_126609 All targets in OG5_126609
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) Get druggable targets OG5_126609 All targets in OG5_126609
Leishmania infantum 4-coumarate:coa ligase-like protein Get druggable targets OG5_126609 All targets in OG5_126609
Mycobacterium ulcerans acyl-CoA synthetase Get druggable targets OG5_126609 All targets in OG5_126609
Mycobacterium ulcerans fatty-acid-CoA ligase Get druggable targets OG5_126609 All targets in OG5_126609
Onchocerca volvulus Get druggable targets OG5_126609 All targets in OG5_126609
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) Get druggable targets OG5_126609 All targets in OG5_126609
Leishmania braziliensis 4-coumarate:coa ligase-like protein Get druggable targets OG5_126609 All targets in OG5_126609
Leishmania major 4-coumarate:coa ligase-like protein Get druggable targets OG5_126609 All targets in OG5_126609
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase Get druggable targets OG5_126609 All targets in OG5_126609
Leishmania mexicana 4-coumarate:coa ligase-like protein Get druggable targets OG5_126609 All targets in OG5_126609
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Leishmania major 4-coumarate:coa ligase-like protein Get druggable targets OG5_126609 All targets in OG5_126609
Mycobacterium ulcerans fatty-acid-CoA ligase Get druggable targets OG5_126609 All targets in OG5_126609
Mycobacterium ulcerans acyl-CoA synthetase Get druggable targets OG5_126609 All targets in OG5_126609
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126609 All targets in OG5_126609
Plasmodium yoelii peroxisomal-coenzyme a synthetase Get druggable targets OG5_126609 All targets in OG5_126609
Plasmodium knowlesi acyl-CoA synthetase, putative Get druggable targets OG5_126609 All targets in OG5_126609
Leishmania infantum 4-coumarate:coa ligase-like protein Get druggable targets OG5_126609 All targets in OG5_126609
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126609 All targets in OG5_126609
Mycobacterium ulcerans acyl-CoA synthetase Get druggable targets OG5_126609 All targets in OG5_126609
Leishmania donovani 4-coumarate:coa ligase-like protein Get druggable targets OG5_126609 All targets in OG5_126609
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126609 All targets in OG5_126609
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126609 All targets in OG5_126609
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) Get druggable targets OG5_126609 All targets in OG5_126609
Leishmania infantum 4-coumarate:coa ligase-like protein Get druggable targets OG5_126609 All targets in OG5_126609
Mycobacterium ulcerans long-chain fatty-acid CoA ligase Get druggable targets OG5_126609 All targets in OG5_126609
Plasmodium vivax acyl-CoA synthetase, putative Get druggable targets OG5_126609 All targets in OG5_126609
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126609 All targets in OG5_126609
Brugia malayi AMP-binding enzyme family protein Get druggable targets OG5_126609 All targets in OG5_126609
Plasmodium berghei acyl-CoA synthetase, putative Get druggable targets OG5_126609 All targets in OG5_126609
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126609 All targets in OG5_126609
Entamoeba histolytica acyl-CoA synthetase, putative Get druggable targets OG5_126609 All targets in OG5_126609
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_126609 All targets in OG5_126609
Plasmodium falciparum acyl-CoA synthetase Get druggable targets OG5_126609 All targets in OG5_126609
Leishmania mexicana 4-coumarate:coa ligase-like protein Get druggable targets OG5_126609 All targets in OG5_126609
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) Get druggable targets OG5_126609 All targets in OG5_126609
Leishmania mexicana 4-coumarate:coa ligase-like protein Get druggable targets OG5_126609 All targets in OG5_126609
Leishmania infantum 4-coumarate:coa ligase-like protein Get druggable targets OG5_126609 All targets in OG5_126609
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126609 All targets in OG5_126609
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) Get druggable targets OG5_126609 All targets in OG5_126609
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Dictyostelium discoideum AMP-dependent synthetase and ligase domain-containing protein Luciferase   552 aa 537 aa 20.9 %
Echinococcus granulosus long chain fatty acid coenzyme A ligase 5 Luciferase   552 aa 481 aa 25.6 %
Candida albicans similar to S. cerevisiae FAT1 (YBR041W) fatty acid transporter and very long-chain fatty acyl-CoA synthetase Luciferase   552 aa 476 aa 24.8 %
Dictyostelium discoideum acetyl-CoA ligase Luciferase   552 aa 546 aa 21.8 %
Theileria parva acetyl-coenzyme A synthetase, putative Luciferase   552 aa 580 aa 22.4 %
Dictyostelium discoideum hypothetical protein Luciferase   552 aa 529 aa 23.4 %
Mycobacterium ulcerans putative fatty-acid--CoA ligase Luciferase   552 aa 485 aa 23.7 %
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase FadD15 Luciferase   552 aa 476 aa 24.6 %
Onchocerca volvulus Matrilysin homolog Luciferase   552 aa 499 aa 22.0 %
Onchocerca volvulus Luciferase   552 aa 498 aa 23.5 %
Onchocerca volvulus Luciferase   552 aa 553 aa 24.8 %
Echinococcus granulosus long chain fatty acid coenzyme A ligase 1 Luciferase   552 aa 481 aa 23.7 %
Mycobacterium tuberculosis Probable fatty-acid-AMP ligase FadD24 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) Luciferase   552 aa 530 aa 21.7 %
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) Luciferase   552 aa 512 aa 22.7 %
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase FadD15 Luciferase   552 aa 486 aa 25.9 %
Trichomonas vaginalis AMP dependent ligase/synthetase, putative Luciferase   552 aa 451 aa 22.4 %
Trichomonas vaginalis AMP dependent ligase/synthetase, putative Luciferase   552 aa 496 aa 22.4 %
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD29 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) Luciferase   552 aa 581 aa 21.3 %
Babesia bovis long-chain acyl-CoA synthetase, putative Luciferase   552 aa 446 aa 22.0 %
Trichomonas vaginalis AMP dependent CoA ligase, putative Luciferase   552 aa 523 aa 25.0 %
Dictyostelium discoideum hypothetical protein Luciferase   552 aa 557 aa 21.4 %
Cryptosporidium hominis acetyl-CoenzymeA synthetase (acetate--coa ligase) (acyl-activating enzyme) Luciferase   552 aa 570 aa 21.6 %
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD26 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) Luciferase   552 aa 531 aa 22.0 %
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE Luciferase   552 aa 541 aa 22.0 %
Mycobacterium ulcerans acyl-CoA synthetase Luciferase   552 aa 514 aa 21.6 %
Leishmania braziliensis long-chain-fatty-acid-CoA ligase, putative Luciferase   552 aa 476 aa 25.4 %
Neospora caninum acetyl-coenzyme a synthetase, putative Luciferase   552 aa 514 aa 23.3 %
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative Luciferase   552 aa 483 aa 21.3 %
Schistosoma mansoni long-chain-fatty-acid--CoA ligase Luciferase   552 aa 526 aa 22.2 %
Candida albicans similar to S. cerevisiae FAT1 (YBR041W) fatty acid transporter and very long-chain fatty acyl-CoA synthetase Luciferase   552 aa 476 aa 24.8 %
Cryptosporidium parvum acetyl-coenzyme A synthetase Luciferase   552 aa 570 aa 21.8 %
Entamoeba histolytica acyl-CoA synthetase, putative Luciferase   552 aa 510 aa 23.1 %
Dictyostelium discoideum hypothetical protein Luciferase   552 aa 515 aa 21.9 %
Plasmodium vivax long-chain fatty acid CoA ligase, putative Luciferase   552 aa 453 aa 24.5 %
Trichomonas vaginalis AMP dependent CoA ligase, putative Luciferase   552 aa 501 aa 23.4 %
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD28 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) Luciferase   552 aa 467 aa 20.6 %
Onchocerca volvulus Luciferase   552 aa 487 aa 24.4 %
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase, FadD11 Luciferase   552 aa 492 aa 25.0 %
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD32 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) Luciferase   552 aa 442 aa 21.7 %
Dictyostelium discoideum hypothetical protein Luciferase   552 aa 588 aa 21.8 %
Mycobacterium ulcerans acyl-CoA synthetase Luciferase   552 aa 559 aa 21.6 %
Mycobacterium tuberculosis Long-chain-fatty-acid-CoA ligase FadD15 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) Luciferase   552 aa 483 aa 23.6 %
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF Luciferase   552 aa 445 aa 20.9 %
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative Luciferase   552 aa 491 aa 23.2 %
Schistosoma japonicum ko:K01897 long-chain fatty-acid-CoA ligase [EC6.2.1.3], putative Luciferase   552 aa 461 aa 26.0 %
Trichomonas vaginalis AMP dependent ligase/synthetase, putative Luciferase   552 aa 448 aa 23.0 %
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative Luciferase   552 aa 478 aa 22.6 %
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD29 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) Luciferase   552 aa 445 aa 22.2 %
Echinococcus multilocularis long chain fatty acid coenzyme A ligase 1 Luciferase   552 aa 480 aa 24.2 %
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) Luciferase   552 aa 508 aa 22.0 %
Brugia malayi AMP-binding enzyme family protein Luciferase   552 aa 492 aa 24.8 %
Mycobacterium tuberculosis Probable fatty-acid-AMP ligase FadD25 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) Luciferase   552 aa 480 aa 21.7 %
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative Luciferase   552 aa 544 aa 21.7 %
Dictyostelium discoideum hypothetical protein Luciferase   552 aa 530 aa 22.4 %
Loa Loa (eye worm) AMP-binding enzyme family protein Luciferase   552 aa 531 aa 24.9 %
Cryptosporidium parvum acyl-CoA synthetase Luciferase   552 aa 460 aa 24.6 %
Dictyostelium discoideum AMP-dependent synthetase and ligase domain-containing protein Luciferase   552 aa 550 aa 24.9 %
Mycobacterium tuberculosis Probable acyl-CoA ligase FadD31 (acyl-CoA synthetase) (acyl-CoA synthase) Luciferase   552 aa 480 aa 21.7 %
Toxoplasma gondii type I fatty acid synthase, putative Luciferase   552 aa 613 aa 20.9 %
Dictyostelium discoideum AMP-dependent synthetase and ligase domain-containing protein Luciferase   552 aa 518 aa 26.6 %
Echinococcus multilocularis long chain fatty acid coenzyme A ligase 1 Luciferase   552 aa 459 aa 25.5 %
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase Luciferase   552 aa 505 aa 22.8 %
Candida albicans similar to S. cerevisiae ACS2 (YLR153C) acetyl-CoA synthetase Luciferase   552 aa 525 aa 22.9 %
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD32 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase). Also shown to have acyl-ACP ligase activity. Luciferase   552 aa 509 aa 22.0 %
Neospora caninum hypothetical protein Luciferase   552 aa 529 aa 22.5 %
Babesia bovis fatty acyl-CoA synthetase family protein Luciferase   552 aa 478 aa 24.1 %
Dictyostelium discoideum hypothetical protein Luciferase   552 aa 557 aa 21.4 %
Trichomonas vaginalis antibiotic synthetase, putative Luciferase   552 aa 605 aa 23.3 %
Trichomonas vaginalis AMP dependent CoA ligase, putative Luciferase   552 aa 500 aa 23.2 %
Dictyostelium discoideum hypothetical protein Luciferase   552 aa 546 aa 21.6 %
Trichomonas vaginalis AMP dependent ligase/synthetase, putative Luciferase   552 aa 472 aa 24.4 %
Brugia malayi AMP-binding enzyme family protein Luciferase   552 aa 482 aa 24.5 %
Giardia lamblia Long chain fatty acid CoA ligase 5 Luciferase   552 aa 491 aa 21.8 %
Dictyostelium discoideum fatty acyl-CoA synthetase Luciferase   552 aa 491 aa 25.2 %
Echinococcus granulosus long chain fatty acid coenzyme A ligase 5 Luciferase   552 aa 486 aa 25.1 %
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 Luciferase   552 aa 493 aa 23.5 %
Dictyostelium discoideum fatty acyl-CoA synthetase Luciferase   552 aa 473 aa 24.3 %
Dictyostelium discoideum hypothetical protein Luciferase   552 aa 530 aa 22.4 %
Mycobacterium ulcerans fatty-acid-CoA ligase FadD11 Luciferase   552 aa 492 aa 25.2 %
Dictyostelium discoideum hypothetical protein Luciferase   552 aa 546 aa 21.6 %
Echinococcus multilocularis long chain fatty acid coenzyme A ligase 5 Luciferase   552 aa 486 aa 24.9 %
Dictyostelium discoideum AMP-dependent synthetase and ligase domain-containing protein Luciferase   552 aa 467 aa 20.8 %
Echinococcus multilocularis long chain fatty acid transport protein 4 Luciferase   552 aa 470 aa 23.4 %
Babesia bovis acetyl-CoA synthetase, putative Luciferase   552 aa 545 aa 21.3 %
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) Luciferase   552 aa 481 aa 20.4 %
Cryptosporidium hominis acyl-CoA synthetase Luciferase   552 aa 460 aa 25.0 %
Candida albicans similar to S. cerevisiae ACS2 (YLR153C) acetyl-CoA synthetase Luciferase   552 aa 525 aa 22.9 %
Dictyostelium discoideum hypothetical protein Luciferase   552 aa 446 aa 22.4 %
Mycobacterium ulcerans fatty-acid-CoA ligase FadD9 Luciferase   552 aa 473 aa 21.4 %
Trichomonas vaginalis antibiotic synthetase, putative Luciferase   552 aa 580 aa 21.7 %
Dictyostelium discoideum hypothetical protein Luciferase   552 aa 540 aa 22.8 %
Entamoeba histolytica acyl-CoA synthetase, putative Luciferase   552 aa 464 aa 23.3 %
Cryptosporidium parvum putative long chain fatty acyl CoA synthetase having a signal peptide Luciferase   552 aa 470 aa 24.5 %
Theileria parva long-chain fatty acid CoA ligase, putative Luciferase   552 aa 468 aa 20.5 %
Mycobacterium leprae Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) Luciferase   552 aa 458 aa 22.9 %
Toxoplasma gondii propionate-CoA ligase Luciferase   552 aa 503 aa 21.7 %
Mycobacterium leprae Probable long-chain-fatty-acid-CoA ligase FadD15 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) Luciferase   552 aa 474 aa 24.5 %
Trichomonas vaginalis long-chain-fatty-acid CoA ligase, putative Luciferase   552 aa 510 aa 22.2 %
Echinococcus multilocularis long chain fatty acid coenzyme A ligase 5 Luciferase   552 aa 470 aa 25.1 %
Candida albicans similar to S. cerevisiae FAA4 (YMR246W) long-chain fatty acid--CoA synthetase Luciferase   552 aa 536 aa 23.1 %
Mycobacterium leprae FATTY-ACID-CoA LIGASE FADD26 (FATTY-ACID-COA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) Luciferase   552 aa 533 aa 21.6 %
Leishmania mexicana long-chain-fatty-acid-CoA ligase, putative,acyl-CoA synthetase, putative,fatty acid thiokinase (long chain), putative Luciferase   552 aa 472 aa 21.6 %
Dictyostelium discoideum hypothetical protein Luciferase   552 aa 473 aa 22.4 %
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) Luciferase   552 aa 554 aa 21.3 %
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) Luciferase   552 aa 516 aa 26.2 %
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase Luciferase   552 aa 503 aa 22.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0419 0.0815 0.0854
Loa Loa (eye worm) hypothetical protein 0.0198 0.0353 0.037
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0419 0.0815 0.0854
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0419 0.0815 1
Loa Loa (eye worm) DR-78 0.0198 0.0353 0.037
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0419 0.0815 1
Loa Loa (eye worm) hypothetical protein 0.0221 0.0402 0.0422
Echinococcus granulosus FTZ F1 alpha 0.0419 0.0815 1
Brugia malayi Nuclear hormone receptor E75 0.0198 0.0353 0.037
Loa Loa (eye worm) hypothetical protein 0.0198 0.0353 0.037
Brugia malayi nuclear receptor RXR 0.0221 0.0402 0.0422
Onchocerca volvulus 0.006 0.0065 0.0065
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0419 0.0815 0.0854
Loa Loa (eye worm) hypothetical protein 0.0198 0.0353 0.037
Echinococcus multilocularis thyroid hormone receptor alpha 0.0419 0.0815 1
Brugia malayi Nuclear hormone receptor-like 1 0.0221 0.0402 0.0422
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0419 0.0815 0.0854
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0 0.5
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0029 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0419 0.0815 0.0854
Schistosoma mansoni nuclear receptor 0.0198 0.0353 0.384
Brugia malayi tailless protein 0.0198 0.0353 0.037
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0419 0.0815 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0419 0.0815 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0419 0.0815 0.0854
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0419 0.0815 1
Schistosoma mansoni retinoic acid receptor RXR 0.0419 0.0815 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0029 0 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0419 0.0815 0.0854
Echinococcus granulosus tumor protein p63 0.0408 0.0791 0.9493
Echinococcus multilocularis tumor protein p63 0.0408 0.0791 0.9493
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0419 0.0815 0.0854
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0419 0.0815 1
Loa Loa (eye worm) hypothetical protein 0.0419 0.0815 0.0854
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0419 0.0815 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0419 0.0815 0.0815
Brugia malayi Nuclear hormone receptor-like 1 0.0419 0.0815 0.0854
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0419 0.0815 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0419 0.0815 0.0854
Loa Loa (eye worm) hypothetical protein 0.0198 0.0353 0.037
Brugia malayi nuclear receptor RXR 0.0198 0.0353 0.037
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0029 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0419 0.0815 0.0854
Schistosoma mansoni nuclear hormone receptor 0.0198 0.0353 0.384
Loa Loa (eye worm) hypothetical protein 0.0419 0.0815 0.0854
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0221 0.0402 0.1071
Brugia malayi ecdysteroid receptor 0.0419 0.0815 0.0854
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0221 0.0402 0.0422
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0198 0.0353 0.0353
Schistosoma mansoni thyroid hormone receptor 0.0419 0.0815 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0198 0.0353 0.037
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0419 0.0815 0.0854
Loa Loa (eye worm) hypothetical protein 0.0419 0.0815 0.0854
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0419 0.0815 0.0854
Brugia malayi hypothetical protein 0.0221 0.0402 0.0422
Onchocerca volvulus Bile acid receptor homolog 0.0419 0.0815 0.0815
Schistosoma mansoni nuclear receptor nhr-48 0.0198 0.0353 0.384
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0419 0.0815 0.0854
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0419 0.0815 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0419 0.0815 1
Schistosoma mansoni nuclear hormone receptor 0.0198 0.0353 0.384
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0419 0.0815 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0221 0.0402 0.1071
Entamoeba histolytica acyl-CoA synthetase, putative 0.0029 0 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0419 0.0815 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0198 0.0353 0.037
Brugia malayi photoreceptor-specific nuclear receptor 0.0419 0.0815 0.0854
Loa Loa (eye worm) hypothetical protein 0.0198 0.0353 0.037
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0419 0.0815 0.0854
Onchocerca volvulus 0.0198 0.0353 0.0353
Schistosoma mansoni nuclear receptor 0.0198 0.0353 0.384
Brugia malayi nuclear hormone receptor 0.0419 0.0815 0.0854
Loa Loa (eye worm) hypothetical protein 0.0198 0.0353 0.037
Entamoeba histolytica acyl-coA synthetase, putative 0.0029 0 0.5
Brugia malayi Nuclear hormone receptor E75 0.0198 0.0353 0.037
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0198 0.0353 0.384
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0419 0.0815 0.0854
Loa Loa (eye worm) hypothetical protein 0.0198 0.0353 0.037
Echinococcus multilocularis FTZ F1 alpha 0.0419 0.0815 1
Brugia malayi Nuclear hormone receptor-like 1 0.0221 0.0402 0.0422
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0419 0.0815 0.0854
Schistosoma mansoni zinc finger protein 0.0198 0.0353 0.384
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0419 0.0815 1
Loa Loa (eye worm) hypothetical protein 0.0198 0.0353 0.037
Schistosoma mansoni coup transcription factor 0.0419 0.0815 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0221 0.0402 0.0422
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0419 0.0815 0.0854
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0419 0.0815 1
Loa Loa (eye worm) hypothetical protein 0.0198 0.0353 0.037
Loa Loa (eye worm) hypothetical protein 0.0221 0.0402 0.0422
Brugia malayi conserved hypotetical protein 0.0198 0.0353 0.037
Loa Loa (eye worm) hypothetical protein 0.0221 0.0402 0.0422
Loa Loa (eye worm) hypothetical protein 0.006 0.0065 0.0068
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0419 0.0815 0.0854
Loa Loa (eye worm) hypothetical protein 0.0221 0.0402 0.0422
Loa Loa (eye worm) hypothetical protein 0.0419 0.0815 0.0854
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0419 0.0815 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0419 0.0815 0.0854
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0419 0.0815 1
Loa Loa (eye worm) hypothetical protein 0.0198 0.0353 0.037
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0419 0.0815 0.0854
Echinococcus multilocularis ecdysone induced protein 78C 0.0419 0.0815 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0419 0.0815 0.0854
Loa Loa (eye worm) hypothetical protein 0.0198 0.0353 0.037
Brugia malayi orphan nuclear receptor NR2E1 0.0198 0.0353 0.037
Schistosoma mansoni thyroid hormone receptor 0.0419 0.0815 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0419 0.0815 1
Echinococcus granulosus ecdysone induced protein 78C 0.0419 0.0815 1
Mycobacterium ulcerans hypothetical protein 0.0029 0 0.5
Brugia malayi nuclear receptor NHR-88 0.0419 0.0815 0.0854
Brugia malayi nuclear receptor NHR-67 0.0198 0.0353 0.037
Schistosoma mansoni nuclear hormone receptor 0.0419 0.0815 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0029 0 0.5
Onchocerca volvulus 0.0419 0.0815 0.0815
Loa Loa (eye worm) hypothetical protein 0.0198 0.0353 0.037
Loa Loa (eye worm) hypothetical protein 0.0419 0.0815 0.0854
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0029 0 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0 0.5
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0198 0.0353 0.0353
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0221 0.0402 0.4499
Entamoeba histolytica acyl-CoA synthetase, putative 0.0029 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0419 0.0815 1
Brugia malayi nuclear receptor NHR-88 0.0198 0.0353 0.037
Brugia malayi nuclear hormone receptor family member nhr-6 0.0198 0.0353 0.037
Brugia malayi steroid hormone receptor 0.0419 0.0815 0.0854
Loa Loa (eye worm) nuclear receptor nhr-7B 0.4602 0.9538 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0419 0.0815 1
Loa Loa (eye worm) hypothetical protein 0.4404 0.9126 0.9568
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0198 0.0353 0.384
Onchocerca volvulus 0.0198 0.0353 0.0353
Loa Loa (eye worm) hypothetical protein 0.0198 0.0353 0.037
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0029 0 0.5
Brugia malayi nuclear hormone receptor 0.4602 0.9538 1
Brugia malayi hypothetical protein 0.0198 0.0353 0.037
Loa Loa (eye worm) nuclear receptor NHR-67 0.0198 0.0353 0.037
Brugia malayi ecdysone receptor 0.0198 0.0353 0.037
Loa Loa (eye worm) hypothetical protein 0.0419 0.0815 0.0854
Brugia malayi hypothetical protein 0.0198 0.0353 0.037
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0029 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0419 0.0815 0.0854
Loa Loa (eye worm) nuclear hormone receptor 0.0198 0.0353 0.037
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0221 0.0402 0.4499
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0419 0.0815 0.0854
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0419 0.0815 1
Brugia malayi hypothetical protein 0.0221 0.0402 0.0422
Schistosoma mansoni RAR-like nuclear receptor 0.0419 0.0815 1
Brugia malayi Steroid receptor seven-up type 2 0.0419 0.0815 0.0854

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Permissive Temperature. (Class of assay: confirmatory) [Related pubchem assays: 902 ] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: Counterscreen for Luciferase (Kinase-Glo TM) Inhibition. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in Human Glioma: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) = 31.6228 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 35.4813 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 HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference

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.
 
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

No literature references available for this target.

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