Detailed information for compound 1231593

Basic information

Technical information
  • TDR Targets ID: 1231593
  • Name: 2-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl ]-1,3,4-oxadiazole
  • MW: 304.704 | Formula: C15H10ClFN2O2
  • H donors: 0 H acceptors: 2 LogP: 3.61 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(c(c1)Cl)COc1ccc(cc1)c1nnco1
  • InChi: 1S/C15H10ClFN2O2/c16-14-7-12(17)4-1-11(14)8-20-13-5-2-10(3-6-13)15-19-18-9-21-15/h1-7,9H,8H2
  • InChiKey: SMSCNFBJTSOONO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[4-[(2-chloro-4-fluoro-phenyl)methoxy]phenyl]-1,3,4-oxadiazole
  • 2-[4-(2-chloro-4-fluoro-benzyl)oxyphenyl]-1,3,4-oxadiazole
  • ZINC08185191
  • T5584484

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Caenorhabditis elegans Protein SKN-1, isoform B Starlite/ChEMBL No references
Photinus pyralis Luciferin 4-monooxygenase Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) 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 ulcerans fatty-acid-CoA ligase 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
Loa Loa (eye worm) hypothetical 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
Leishmania infantum 4-coumarate:coa ligase-like 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
Entamoeba histolytica acyl-coA synthetase, putative 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 donovani 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
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 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
Plasmodium vivax acyl-CoA synthetase, putative Get druggable targets OG5_126609 All targets in OG5_126609
Onchocerca volvulus 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
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
Leishmania major 4-coumarate:coa ligase-like protein 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 major 4-coumarate:coa ligase-like protein 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
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 mexicana 4-coumarate:coa ligase-like 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
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 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
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 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
Leishmania mexicana 4-coumarate:coa ligase-like 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
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
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 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 long-chain fatty-acid CoA ligase 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
Mycobacterium ulcerans acyl-CoA synthetase 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 tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 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 fatty-acid-CoA ligase 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
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 FadD2 (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
Leishmania donovani 4-coumarate:coa ligase-like protein 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 hypothetical protein Luciferin 4-monooxygenase   550 aa 538 aa 21.8 %
Trichomonas vaginalis AMP dependent CoA ligase, putative Luciferin 4-monooxygenase   550 aa 524 aa 24.0 %
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) Luciferin 4-monooxygenase   550 aa 535 aa 23.2 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Toxoplasma gondii propionate-CoA ligase Luciferin 4-monooxygenase   550 aa 550 aa 21.1 %
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase FadD15 Luciferin 4-monooxygenase   550 aa 482 aa 24.3 %
Neospora caninum Short-chain dehydrogenase/reductase SDR, related Luciferin 4-monooxygenase   550 aa 518 aa 19.1 %
Dictyostelium discoideum fatty acyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 462 aa 23.8 %
Mycobacterium leprae FATTY-ACID-CoA LIGASE FADD26 (FATTY-ACID-COA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) Luciferin 4-monooxygenase   550 aa 533 aa 22.7 %
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Candida albicans similar to S. cerevisiae FAA4 (YMR246W) long-chain fatty acid--CoA synthetase Luciferin 4-monooxygenase   550 aa 478 aa 23.4 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 539 aa 19.1 %
Mycobacterium leprae PROBABLE FATTY-ACID--CoA LIGASE FADD21 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) Luciferin 4-monooxygenase   550 aa 565 aa 22.8 %
Trichomonas vaginalis AMP dependent ligase/synthetase, putative Luciferin 4-monooxygenase   550 aa 526 aa 22.4 %
Trichomonas vaginalis AMP dependent ligase/synthetase, putative Luciferin 4-monooxygenase   550 aa 554 aa 24.4 %
Leishmania donovani long chain fatty Acyl CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 500 aa 23.4 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 542 aa 18.3 %
Trichomonas vaginalis AMP dependent ligase/synthetase, putative Luciferin 4-monooxygenase   550 aa 494 aa 24.3 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 522 aa 19.9 %
Dictyostelium discoideum AMP-dependent synthetase and ligase domain-containing protein Luciferin 4-monooxygenase   550 aa 545 aa 24.9 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 507 aa 20.9 %
Trichomonas vaginalis antibiotic synthetase, putative Luciferin 4-monooxygenase   550 aa 581 aa 21.2 %
Schistosoma japonicum ko:K08745 solute carrier family 27 (fatty acid transporter), member 1, putative Luciferin 4-monooxygenase   550 aa 501 aa 24.6 %
Brugia malayi AMP-binding enzyme family protein Luciferin 4-monooxygenase   550 aa 497 aa 24.7 %
Leishmania infantum long chain fatty Acyl CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 500 aa 23.4 %
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD34 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) Luciferin 4-monooxygenase   550 aa 537 aa 20.9 %
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase Luciferin 4-monooxygenase   550 aa 536 aa 24.4 %
Candida albicans similar to S. cerevisiae ACS2 (YLR153C) acetyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 539 aa 22.1 %
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein Luciferin 4-monooxygenase   550 aa 476 aa 22.5 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 541 aa 21.6 %
Trichomonas vaginalis AMP dependent ligase, putative Luciferin 4-monooxygenase   550 aa 445 aa 26.1 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 542 aa 22.1 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 535 aa 21.7 %
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD32 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) Luciferin 4-monooxygenase   550 aa 442 aa 23.5 %
Echinococcus granulosus long chain fatty acid coenzyme A ligase 5 Luciferin 4-monooxygenase   550 aa 458 aa 25.8 %
Mycobacterium tuberculosis Probable fatty-acid-AMP ligase FadD23 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) Luciferin 4-monooxygenase   550 aa 542 aa 23.8 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 539 aa 19.1 %
Trypanosoma congolense fatty acyl CoA synthetase 2, putative Luciferin 4-monooxygenase   550 aa 500 aa 22.4 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 541 aa 21.6 %
Schistosoma japonicum ko:K01897 long-chain fatty-acid-CoA ligase [EC6.2.1.3], putative Luciferin 4-monooxygenase   550 aa 466 aa 27.3 %
Echinococcus multilocularis long chain fatty acid coenzyme A ligase 5 Luciferin 4-monooxygenase   550 aa 458 aa 25.5 %
Cryptosporidium parvum putative long chain fatty acyl CoA synthetase having a signal peptide Luciferin 4-monooxygenase   550 aa 472 aa 24.8 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 558 aa 20.4 %
Cryptosporidium hominis acetyl-CoenzymeA synthetase (acetate--coa ligase) (acyl-activating enzyme) Luciferin 4-monooxygenase   550 aa 549 aa 22.6 %
Trichomonas vaginalis AMP dependent ligase/synthetase, putative Luciferin 4-monooxygenase   550 aa 554 aa 22.9 %
Mycobacterium tuberculosis Probable fatty-acid-AMP ligase FadD24 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) Luciferin 4-monooxygenase   550 aa 526 aa 21.9 %
Theileria parva long-chain fatty acid CoA ligase, putative Luciferin 4-monooxygenase   550 aa 507 aa 23.5 %
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase, FadD11 Luciferin 4-monooxygenase   550 aa 492 aa 24.6 %
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) Luciferin 4-monooxygenase   550 aa 493 aa 20.7 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 576 aa 19.8 %
Cryptosporidium parvum acetyl-coenzyme A synthetase Luciferin 4-monooxygenase   550 aa 545 aa 22.8 %
Cryptosporidium hominis acyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 460 aa 26.1 %
Mycobacterium ulcerans fatty-acid-CoA ligase FadD11 Luciferin 4-monooxygenase   550 aa 498 aa 23.5 %
Trichomonas vaginalis AMP dependent CoA ligase, putative Luciferin 4-monooxygenase   550 aa 492 aa 23.6 %
Trichomonas vaginalis AMP dependent CoA ligase, putative Luciferin 4-monooxygenase   550 aa 527 aa 25.0 %
Brugia malayi AMP-binding enzyme family protein Luciferin 4-monooxygenase   550 aa 544 aa 21.5 %
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD28 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) Luciferin 4-monooxygenase   550 aa 484 aa 20.5 %
Leishmania major long chain fatty Acyl CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 482 aa 23.2 %
Echinococcus multilocularis long chain fatty acid transport protein 4 Luciferin 4-monooxygenase   550 aa 476 aa 22.3 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 499 aa 19.2 %
Dictyostelium discoideum AMP-dependent synthetase and ligase domain-containing protein Luciferin 4-monooxygenase   550 aa 550 aa 20.9 %
Neospora caninum acetyl-coenzyme a synthetase, putative Luciferin 4-monooxygenase   550 aa 549 aa 20.9 %
Schistosoma japonicum ko:K01897 long-chain fatty-acid-CoA ligase [EC6.2.1.3], putative Luciferin 4-monooxygenase   550 aa 541 aa 22.4 %
Leishmania braziliensis acetyl-CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 596 aa 21.1 %
Dictyostelium discoideum acetyl-CoA ligase Luciferin 4-monooxygenase   550 aa 549 aa 22.2 %
Babesia bovis fatty acyl-CoA synthetase family protein Luciferin 4-monooxygenase   550 aa 461 aa 23.4 %
Entamoeba histolytica acyl-CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 446 aa 22.0 %
Mycobacterium leprae Probable long-chain-fatty-acid-CoA ligase FadD15 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) Luciferin 4-monooxygenase   550 aa 484 aa 23.3 %
Onchocerca volvulus Lysine-specific histone demethylase 1A homolog Luciferin 4-monooxygenase   550 aa 550 aa 22.5 %
Onchocerca volvulus Matrilysin homolog Luciferin 4-monooxygenase   550 aa 466 aa 24.2 %
Echinococcus granulosus long chain fatty acid transport protein 4 Luciferin 4-monooxygenase   550 aa 476 aa 22.3 %
Schistosoma mansoni FAA1 Long-chain-fatty-acid--CoA ligase 1 Luciferin 4-monooxygenase   550 aa 494 aa 26.3 %
Trypanosoma cruzi fatty acyl CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 480 aa 25.2 %
Candida albicans similar to S. cerevisiae ACS2 (YLR153C) acetyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 539 aa 22.1 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 478 aa 21.1 %
Echinococcus multilocularis long chain fatty acid coenzyme A ligase 1 Luciferin 4-monooxygenase   550 aa 459 aa 27.0 %
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD29 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) Luciferin 4-monooxygenase   550 aa 617 aa 22.2 %
Trypanosoma brucei gambiense fatty acyl CoA synthetase 3 Luciferin 4-monooxygenase   550 aa 491 aa 23.6 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 542 aa 22.1 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 535 aa 22.6 %
Echinococcus granulosus long chain fatty acid coenzyme A ligase 1 Luciferin 4-monooxygenase   550 aa 452 aa 26.1 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 541 aa 21.4 %
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD28 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) Luciferin 4-monooxygenase   550 aa 504 aa 22.6 %
Leishmania mexicana acetyl-CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 559 aa 20.6 %
Mycobacterium tuberculosis Probable fatty-acid-AMP ligase FadD21 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) Luciferin 4-monooxygenase   550 aa 586 aa 24.4 %
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD29 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) Luciferin 4-monooxygenase   550 aa 529 aa 22.3 %
Mycobacterium ulcerans acyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 530 aa 23.8 %
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) Luciferin 4-monooxygenase   550 aa 505 aa 28.1 %
Mycobacterium tuberculosis Probable acyl-CoA ligase FadD31 (acyl-CoA synthetase) (acyl-CoA synthase) Luciferin 4-monooxygenase   550 aa 592 aa 20.4 %
Trypanosoma brucei gambiense fatty acyl CoA synthetase 4, putative Luciferin 4-monooxygenase   550 aa 497 aa 23.7 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 542 aa 18.3 %
Leishmania mexicana long chain fatty Acyl CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 483 aa 23.8 %
Dictyostelium discoideum fatty acyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 501 aa 24.4 %
Mycobacterium ulcerans acyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 601 aa 22.5 %
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 Luciferin 4-monooxygenase   550 aa 493 aa 22.1 %
Trypanosoma cruzi fatty acyl CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 482 aa 24.7 %
Cryptosporidium parvum acyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 460 aa 25.7 %
Mycobacterium ulcerans acyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 582 aa 22.3 %
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE Luciferin 4-monooxygenase   550 aa 502 aa 22.5 %
Leishmania braziliensis acetyl-CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 603 aa 22.6 %
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase Luciferin 4-monooxygenase   550 aa 509 aa 21.8 %
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase FadD15 Luciferin 4-monooxygenase   550 aa 484 aa 26.0 %
Dictyostelium discoideum AMP-dependent synthetase and ligase domain-containing protein Luciferin 4-monooxygenase   550 aa 531 aa 19.0 %
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative Luciferin 4-monooxygenase   550 aa 494 aa 23.9 %
Candida albicans similar to S. cerevisiae ACS2 (YLR153C) acetyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 543 aa 24.5 %
Echinococcus multilocularis long chain fatty acid coenzyme A ligase 1 Luciferin 4-monooxygenase   550 aa 443 aa 26.4 %
Onchocerca volvulus Luciferin 4-monooxygenase   550 aa 487 aa 23.8 %
Onchocerca volvulus Luciferin 4-monooxygenase   550 aa 502 aa 24.9 %
Dictyostelium discoideum AMP-dependent synthetase and ligase domain-containing protein Luciferin 4-monooxygenase   550 aa 517 aa 24.8 %
Candida albicans similar to S. cerevisiae FAT1 (YBR041W) fatty acid transporter and very long-chain fatty acyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 496 aa 24.2 %
Trichomonas vaginalis long-chain-fatty-acid CoA ligase, putative Luciferin 4-monooxygenase   550 aa 466 aa 21.7 %
Toxoplasma gondii type I fatty acid synthase, putative Luciferin 4-monooxygenase   550 aa 514 aa 19.8 %
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) Luciferin 4-monooxygenase   550 aa 509 aa 22.6 %
Mycobacterium ulcerans non-ribosomal peptide synthetase Luciferin 4-monooxygenase   550 aa 541 aa 22.4 %
Trypanosoma cruzi fatty acyl CoA synthetase 2, putative Luciferin 4-monooxygenase   550 aa 495 aa 22.6 %
Trichomonas vaginalis AMP dependent ligase/synthetase, putative Luciferin 4-monooxygenase   550 aa 476 aa 23.5 %
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative Luciferin 4-monooxygenase   550 aa 480 aa 21.5 %
Loa Loa (eye worm) AMP-binding enzyme family protein Luciferin 4-monooxygenase   550 aa 489 aa 23.3 %
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) Luciferin 4-monooxygenase   550 aa 480 aa 22.5 %
Mycobacterium ulcerans acyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 497 aa 19.3 %
Candida albicans similar to S. cerevisiae ACS2 (YLR153C) acetyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 543 aa 24.5 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 463 aa 23.5 %
Trypanosoma brucei fatty acyl CoA synthetase 3 Luciferin 4-monooxygenase   550 aa 491 aa 23.6 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 541 aa 21.4 %
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD26 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) Luciferin 4-monooxygenase   550 aa 560 aa 21.4 %
Mycobacterium tuberculosis Probable fatty-acid-AMP ligase FadD25 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) Luciferin 4-monooxygenase   550 aa 475 aa 21.1 %
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative Luciferin 4-monooxygenase   550 aa 476 aa 20.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Candida albicans similar to S. cerevisiae FAT1 (YBR041W) fatty acid transporter and very long-chain fatty acyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 496 aa 24.2 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 538 aa 21.8 %
Mycobacterium ulcerans putative fatty-acid--CoA ligase Luciferin 4-monooxygenase   550 aa 576 aa 20.8 %
Mycobacterium ulcerans fatty-acid-CoA ligase FadD9 Luciferin 4-monooxygenase   550 aa 463 aa 21.8 %
Leishmania braziliensis long chain fatty Acyl CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 496 aa 22.8 %
Babesia bovis long-chain acyl-CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 445 aa 21.8 %
Mycobacterium leprae Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) Luciferin 4-monooxygenase   550 aa 461 aa 22.3 %
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF Luciferin 4-monooxygenase   550 aa 558 aa 20.1 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 522 aa 19.9 %
Trichomonas vaginalis antibiotic synthetase, putative Luciferin 4-monooxygenase   550 aa 577 aa 22.2 %
Trichomonas vaginalis long-chain-fatty-acid CoA ligase, putative Luciferin 4-monooxygenase   550 aa 490 aa 23.3 %
Mycobacterium ulcerans acyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 593 aa 22.1 %
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD32 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase). Also shown to have acyl-ACP ligase activity. Luciferin 4-monooxygenase   550 aa 487 aa 22.4 %
Leishmania braziliensis long-chain-fatty-acid-CoA ligase, putative Luciferin 4-monooxygenase   550 aa 504 aa 25.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0439 0.5003
Loa Loa (eye worm) hypothetical protein 0.0021 0.0274 0.0575
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0112 0.2882 0.6044
Brugia malayi hypothetical protein 0.0027 0.0439 0.092
Plasmodium vivax acyl-CoA synthetase, putative 0.0021 0.0274 0.313
Loa Loa (eye worm) hypothetical protein 0.0053 0.12 0.2518
Loa Loa (eye worm) hypothetical protein 0.0021 0.0274 0.0575
Brugia malayi hypothetical protein 0.0043 0.0911 0.1911
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0483 0.294
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0439 0.5003
Entamoeba histolytica hypothetical protein 0.0043 0.0911 0.3513
Schistosoma mansoni hypothetical protein 0.0358 1 1
Schistosoma mansoni hypothetical protein 0.0035 0.0677 0.0677
Plasmodium falciparum acyl-CoA synthetase 0.0021 0.0274 0.6256
Mycobacterium ulcerans esterase/lipase LipP 0.0042 0.0877 0.5332
Toxoplasma gondii ABC1 family protein 0.0042 0.0877 0.5332
Echinococcus granulosus sterol regulatory element binding protein 0.0044 0.0917 0.0917
Onchocerca volvulus 0.0042 0.0877 0.1839
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0112 0.2882 0.6044
Brugia malayi N-terminal motif family protein 0.0177 0.4768 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0069 0.1644 0.1644
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0148 0.3922 0.3922
Echinococcus multilocularis protein dispatched 1 0.005 0.1095 0.1095
Schistosoma mansoni aldehyde dehydrogenase 0.0069 0.1644 0.1644
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0029 0.0483 0.294
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0677 0.0677
Mycobacterium leprae conserved hypothetical protein 0.0042 0.0877 1
Brugia malayi latrophilin 2 splice variant baaae 0.0076 0.1861 0.3904
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0677 0.142
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0483 0.0371
Schistosoma mansoni hypothetical protein 0.0042 0.0871 0.0871
Schistosoma mansoni hypothetical protein 0.0035 0.0677 0.0677
Echinococcus granulosus Protein patched homolog 1 0.0044 0.0917 0.0917
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0677 0.0677
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0911 0.0911
Mycobacterium ulcerans beta-lactamase 0.0042 0.0877 0.5332
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0877 0.956
Loa Loa (eye worm) hypothetical protein 0.0027 0.0439 0.092
Brugia malayi beta-lactamase family protein 0.0042 0.0877 0.1839
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0042 0.0877 0.0882
Loa Loa (eye worm) hypothetical protein 0.0042 0.0877 0.1839
Toxoplasma gondii aldehyde dehydrogenase 0.0069 0.1644 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0029 0.0483 0.1864
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0439 0.5003
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0483 0.294
Mycobacterium tuberculosis Conserved protein 0.0042 0.0877 0.0882
Mycobacterium tuberculosis Probable lipase LipD 0.0042 0.0877 0.0882
Schistosoma mansoni hypothetical protein 0.0076 0.1861 0.1861
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0148 0.3922 0.3922
Brugia malayi Niemann-Pick C1 protein precursor 0.0102 0.2593 0.5439
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0029 0.0483 0.294
Echinococcus multilocularis Niemann Pick C1 protein 0.0102 0.2593 0.2593
Loa Loa (eye worm) hypothetical protein 0.0042 0.0877 0.1839
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.0877 0.0877
Loa Loa (eye worm) hypothetical protein 0.0177 0.4768 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0029 0.0483 0.0337
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.1076 0.2256
Schistosoma mansoni patched 1 0.0044 0.0917 0.0917
Echinococcus granulosus Niemann Pick C1 protein 0.0145 0.3853 0.3853
Loa Loa (eye worm) hypothetical protein 0.0029 0.0483 0.1014
Onchocerca volvulus 0.0029 0.0483 0.1014
Schistosoma mansoni hypothetical protein 0.0042 0.0871 0.0871
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1076 0.1076
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0877 1
Schistosoma mansoni hypothetical protein 0.0012 0.0007 0.0007
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0042 0.0877 0.0882
Echinococcus multilocularis GPCR, family 2 0.0035 0.0677 0.0677
Loa Loa (eye worm) hypothetical protein 0.0112 0.2882 0.6044
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0069 0.1644 1
Brugia malayi beta-lactamase family protein 0.0042 0.0877 0.1839
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0677 0.0677
Echinococcus multilocularis geminin 0.0358 1 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0103 0.2639 0.2639
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0042 0.0877 0.0882
Mycobacterium leprae Probable lipase LipE 0.0042 0.0877 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0677 0.142
Schistosoma mansoni aldehyde dehydrogenase 0.0069 0.1644 0.1644
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0029 0.0483 0.294
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.1644 1
Brugia malayi hypothetical protein 0.0017 0.0161 0.0339
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.0274 0.0047
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0877 0.0877
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0483 0.1014
Brugia malayi beta-lactamase 0.0042 0.0877 0.1839
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0911 0.0911
Entamoeba histolytica hypothetical protein 0.0043 0.0911 0.3513
Onchocerca volvulus 0.0042 0.0877 0.1839
Mycobacterium ulcerans hypothetical protein 0.0029 0.0483 0.294
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0677 0.142
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0677 0.0677
Schistosoma mansoni hypothetical protein 0.0042 0.0871 0.0871
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0021 0.0274 0.1669
Echinococcus granulosus expressed conserved protein 0.0096 0.2415 0.2415
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0007 0.0007
Mycobacterium ulcerans hypothetical protein 0.0042 0.0877 0.5332
Loa Loa (eye worm) hypothetical protein 0.0042 0.0877 0.1839
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0069 0.1644 0.1644
Loa Loa (eye worm) hypothetical protein 0.0021 0.0274 0.0575
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.0877 0.0877
Schistosoma mansoni hypothetical protein 0.0148 0.3922 0.3922
Schistosoma mansoni hypothetical protein 0.0035 0.0677 0.0677
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0483 0.1014
Loa Loa (eye worm) hypothetical protein 0.0102 0.2593 0.5439
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0042 0.0877 0.5332
Mycobacterium tuberculosis Conserved protein 0.0042 0.0877 0.0882
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0877 0.1839
Giardia lamblia Replication factor C, subunit 1 0.0012 0 0.5
Trichomonas vaginalis esterase, putative 0.0042 0.0877 0.956
Schistosoma mansoni thyroid hormone receptor 0.016 0.4264 0.4264
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.1644 1
Echinococcus multilocularis protein patched 0.0044 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0042 0.0877 0.1839
Echinococcus multilocularis expressed conserved protein 0.0096 0.2415 0.2415
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0102 0.2593 1
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0439 0.2668
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.1076 0.2256
Mycobacterium tuberculosis Probable lipase LipE 0.0042 0.0877 0.0882
Entamoeba histolytica acyl-coA synthetase, putative 0.0029 0.0483 0.1864
Brugia malayi CHE-14 protein 0.0044 0.0917 0.1923
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0012 0 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.0877 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0145 0.3853 0.3853
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0483 0.1014
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1076 0.1076
Entamoeba histolytica hypothetical protein 0.0043 0.0911 0.3513
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0483 0.294
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0007 0.0007
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0029 0.0483 0.5513
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0877 0.956
Onchocerca volvulus 0.0042 0.0877 0.1839
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0439 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0112 0.2882 0.6044
Echinococcus granulosus Niemann Pick C1 protein 0.0102 0.2593 0.2593
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0177 0.4768 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0044 0.0917 0.1923
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.1076 0.1076
Loa Loa (eye worm) hypothetical protein 0.0042 0.0877 0.1839
Loa Loa (eye worm) hypothetical protein 0.0029 0.0483 0.1014
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0439 1
Schistosoma mansoni hypothetical protein 0.0358 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0917 1
Mycobacterium ulcerans lipase LipD 0.0042 0.0877 0.5332
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0069 0.1644 0.1947
Echinococcus granulosus GPCR family 2 0.0035 0.0677 0.0677
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0483 0.0371
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.1644 1
Mycobacterium tuberculosis Probable esterase LipL 0.0042 0.0877 0.0882
Echinococcus multilocularis sterol regulatory element binding protein 0.0044 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0044 0.0917 0.1923
Loa Loa (eye worm) hypothetical protein 0.0021 0.0274 0.0575
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0029 0.0483 0.5513
Loa Loa (eye worm) beta-lactamase 0.0042 0.0877 0.1839
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0877 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0483 0.0371
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0029 0.0483 0.294
Mycobacterium tuberculosis Conserved protein 0.0042 0.0877 0.0882
Leishmania major hypothetical protein, conserved 0.0042 0.0877 0.3634
Schistosoma mansoni hypothetical protein 0.0035 0.0677 0.0677
Loa Loa (eye worm) hypothetical protein 0.0021 0.0274 0.0575
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0877 1
Entamoeba histolytica hypothetical protein 0.0043 0.0911 0.3513
Loa Loa (eye worm) hypothetical protein 0.0042 0.0877 0.1839
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0021 0.0274 1
Schistosoma mansoni hypothetical protein 0.0042 0.0871 0.0871
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0439 0.5003
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1076 0.1076
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0877 0.1839
Echinococcus multilocularis thyroid hormone receptor alpha 0.016 0.4264 0.4264
Entamoeba histolytica acyl-CoA synthetase, putative 0.0029 0.0483 0.1864
Loa Loa (eye worm) hypothetical protein 0.0035 0.0677 0.142
Loa Loa (eye worm) hypothetical protein 0.0029 0.0483 0.1014
Loa Loa (eye worm) hypothetical protein 0.0076 0.1861 0.3904
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0483 0.0337
Treponema pallidum DNA ligase (lig) 0.0012 0 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0877 0.956
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.1076 0.1076
Schistosoma mansoni hypothetical protein 0.0043 0.0911 0.0911
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0877 0.0877
Mycobacterium tuberculosis Probable hydrolase 0.0042 0.0877 0.0882
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0877 0.956
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.1076 0.1076
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0911 0.0911
Schistosoma mansoni thyroid hormone receptor 0.016 0.4264 0.4264
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.1076 0.1076
Mycobacterium tuberculosis Possible penicillin-binding protein 0.027 0.745 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0877 0.956

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 2.25 uM PubChem BioAssay. SAR analysis of small molecule inhibitors of SKN-1 in a fluorescence ratio assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 6.4 uM PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluorescence ratio assay - Set 2. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 6.56 uM PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluorescence ratio assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 64 uM PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits via a heat-shock counterscreen assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 64 uM PubChem BioAssay. SAR analysis of small molecule inhibitors of SKN-1 via a heat-shock counterscreen assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.9953 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.2753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 16.9441 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 20.5878 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 29.0929 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) 35.4813 uM PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 125.8925 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23
Saccharomyces cerevisiae ChEMBL23

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.