Detailed information for compound 1273020

Basic information

Technical information
  • TDR Targets ID: 1273020
  • Name: 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2, 4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylpheny l)acetamide
  • MW: 357.433 | Formula: C16H19N7OS
  • H donors: 3 H acceptors: 4 LogP: 2.05 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cc(C)cc(c1)C)CSc1nnc(n1N)c1n[nH]c(c1)C
  • InChi: 1S/C16H19N7OS/c1-9-4-10(2)6-12(5-9)18-14(24)8-25-16-22-21-15(23(16)17)13-7-11(3)19-20-13/h4-7H,8,17H2,1-3H3,(H,18,24)(H,19,20)
  • InChiKey: QGJNOVGAKUGNFR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]thio]-N-(3,5-dimethylphenyl)acetamide
  • 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)ethanamide
  • ST5426899

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Photinus pyralis Luciferin 4-monooxygenase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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 braziliensis 4-coumarate:coa ligase-like protein Get druggable targets OG5_126609 All targets in OG5_126609
Onchocerca volvulus 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 tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP 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
Entamoeba histolytica 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
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 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
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
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 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
Plasmodium falciparum acyl-CoA synthetase 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 vivax acyl-CoA synthetase, putative 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
Brugia malayi AMP-binding enzyme family 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
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
Loa Loa (eye worm) hypothetical 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
Mycobacterium ulcerans long-chain 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
Leishmania mexicana 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
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 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
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
Leishmania mexicana 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
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
Mycobacterium ulcerans acyl-CoA synthetase 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 mexicana 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
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 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
Plasmodium yoelii peroxisomal-coenzyme a synthetase 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
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 %
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 %
Trypanosoma brucei gambiense fatty acyl CoA synthetase 3 Luciferin 4-monooxygenase   550 aa 491 aa 23.6 %
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 %
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase FadD15 Luciferin 4-monooxygenase   550 aa 484 aa 26.0 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 576 aa 19.8 %
Mycobacterium ulcerans non-ribosomal peptide synthetase Luciferin 4-monooxygenase   550 aa 541 aa 22.4 %
Entamoeba histolytica acyl-CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 446 aa 22.0 %
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 %
Neospora caninum acetyl-coenzyme a synthetase, putative Luciferin 4-monooxygenase   550 aa 549 aa 20.9 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 507 aa 20.9 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 558 aa 20.4 %
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 %
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein Luciferin 4-monooxygenase   550 aa 476 aa 22.5 %
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) Luciferin 4-monooxygenase   550 aa 509 aa 22.6 %
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 %
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative Luciferin 4-monooxygenase   550 aa 494 aa 23.9 %
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE Luciferin 4-monooxygenase   550 aa 502 aa 22.5 %
Loa Loa (eye worm) AMP-binding enzyme family protein Luciferin 4-monooxygenase   550 aa 489 aa 23.3 %
Leishmania infantum long chain fatty Acyl CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 500 aa 23.4 %
Mycobacterium ulcerans fatty-acid-CoA ligase FadD9 Luciferin 4-monooxygenase   550 aa 463 aa 21.8 %
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 %
Onchocerca volvulus Luciferin 4-monooxygenase   550 aa 487 aa 23.8 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 522 aa 19.9 %
Leishmania donovani long chain fatty Acyl CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 500 aa 23.4 %
Brugia malayi AMP-binding enzyme family protein Luciferin 4-monooxygenase   550 aa 497 aa 24.7 %
Toxoplasma gondii type I fatty acid synthase, putative Luciferin 4-monooxygenase   550 aa 514 aa 19.8 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 539 aa 19.1 %
Dictyostelium discoideum AMP-dependent synthetase and ligase domain-containing protein Luciferin 4-monooxygenase   550 aa 531 aa 19.0 %
Mycobacterium ulcerans acyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 497 aa 19.3 %
Brugia malayi AMP-binding enzyme family protein Luciferin 4-monooxygenase   550 aa 544 aa 21.5 %
Dictyostelium discoideum fatty acyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 501 aa 24.4 %
Mycobacterium ulcerans fatty-acid-CoA ligase FadD11 Luciferin 4-monooxygenase   550 aa 498 aa 23.5 %
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 tuberculosis Fatty-acid-AMP ligase FadD28 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) Luciferin 4-monooxygenase   550 aa 504 aa 22.6 %
Echinococcus granulosus long chain fatty acid coenzyme A ligase 5 Luciferin 4-monooxygenase   550 aa 458 aa 25.8 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 463 aa 23.5 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 541 aa 21.4 %
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 tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase Luciferin 4-monooxygenase   550 aa 536 aa 24.4 %
Babesia bovis long-chain acyl-CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 445 aa 21.8 %
Babesia bovis fatty acyl-CoA synthetase family protein Luciferin 4-monooxygenase   550 aa 461 aa 23.4 %
Candida albicans similar to S. cerevisiae ACS2 (YLR153C) acetyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 543 aa 24.5 %
Mycobacterium leprae FATTY-ACID-CoA LIGASE FADD26 (FATTY-ACID-COA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) Luciferin 4-monooxygenase   550 aa 533 aa 22.7 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 499 aa 19.2 %
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 %
Schistosoma japonicum ko:K08745 solute carrier family 27 (fatty acid transporter), member 1, putative Luciferin 4-monooxygenase   550 aa 501 aa 24.6 %
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative Luciferin 4-monooxygenase   550 aa 480 aa 21.5 %
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 476 aa 23.5 %
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase Luciferin 4-monooxygenase   550 aa 509 aa 21.8 %
Trichomonas vaginalis antibiotic synthetase, putative Luciferin 4-monooxygenase   550 aa 577 aa 22.2 %
Mycobacterium tuberculosis Probable acyl-CoA ligase FadD31 (acyl-CoA synthetase) (acyl-CoA synthase) Luciferin 4-monooxygenase   550 aa 592 aa 20.4 %
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative Luciferin 4-monooxygenase   550 aa 476 aa 20.8 %
Trichomonas vaginalis long-chain-fatty-acid CoA ligase, putative Luciferin 4-monooxygenase   550 aa 490 aa 23.3 %
Onchocerca volvulus Lysine-specific histone demethylase 1A homolog Luciferin 4-monooxygenase   550 aa 550 aa 22.5 %
Leishmania braziliensis long-chain-fatty-acid-CoA ligase, putative Luciferin 4-monooxygenase   550 aa 504 aa 25.6 %
Trichomonas vaginalis AMP dependent ligase/synthetase, putative Luciferin 4-monooxygenase   550 aa 554 aa 24.4 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 522 aa 19.9 %
Leishmania major long chain fatty Acyl CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 482 aa 23.2 %
Mycobacterium ulcerans acyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 582 aa 22.3 %
Schistosoma mansoni FAA1 Long-chain-fatty-acid--CoA ligase 1 Luciferin 4-monooxygenase   550 aa 494 aa 26.3 %
Cryptosporidium parvum putative long chain fatty acyl CoA synthetase having a signal peptide Luciferin 4-monooxygenase   550 aa 472 aa 24.8 %
Mycobacterium ulcerans acyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 601 aa 22.5 %
Trichomonas vaginalis antibiotic synthetase, putative Luciferin 4-monooxygenase   550 aa 581 aa 21.2 %
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 %
Candida albicans similar to S. cerevisiae FAA4 (YMR246W) long-chain fatty acid--CoA synthetase Luciferin 4-monooxygenase   550 aa 478 aa 23.4 %
Trypanosoma brucei fatty acyl CoA synthetase 3 Luciferin 4-monooxygenase   550 aa 491 aa 23.6 %
Mycobacterium ulcerans putative fatty-acid--CoA ligase Luciferin 4-monooxygenase   550 aa 576 aa 20.8 %
Dictyostelium discoideum AMP-dependent synthetase and ligase domain-containing protein Luciferin 4-monooxygenase   550 aa 517 aa 24.8 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 542 aa 18.3 %
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase, FadD11 Luciferin 4-monooxygenase   550 aa 492 aa 24.6 %
Onchocerca volvulus Luciferin 4-monooxygenase   550 aa 502 aa 24.9 %
Mycobacterium ulcerans acyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 530 aa 23.8 %
Echinococcus multilocularis long chain fatty acid coenzyme A ligase 1 Luciferin 4-monooxygenase   550 aa 443 aa 26.4 %
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase FadD15 Luciferin 4-monooxygenase   550 aa 482 aa 24.3 %
Echinococcus multilocularis long chain fatty acid coenzyme A ligase 1 Luciferin 4-monooxygenase   550 aa 459 aa 27.0 %
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 541 aa 21.6 %
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD26 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) Luciferin 4-monooxygenase   550 aa 560 aa 21.4 %
Trichomonas vaginalis AMP dependent CoA ligase, putative Luciferin 4-monooxygenase   550 aa 492 aa 23.6 %
Cryptosporidium parvum acetyl-coenzyme A synthetase Luciferin 4-monooxygenase   550 aa 545 aa 22.8 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 541 aa 21.6 %
Toxoplasma gondii propionate-CoA ligase Luciferin 4-monooxygenase   550 aa 550 aa 21.1 %
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 %
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 %
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 transport protein 4 Luciferin 4-monooxygenase   550 aa 476 aa 22.3 %
Echinococcus multilocularis long chain fatty acid coenzyme A ligase 5 Luciferin 4-monooxygenase   550 aa 458 aa 25.5 %
Candida albicans similar to S. cerevisiae ACS2 (YLR153C) acetyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 539 aa 22.1 %
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 %
Trypanosoma congolense fatty acyl CoA synthetase 2, putative Luciferin 4-monooxygenase   550 aa 500 aa 22.4 %
Theileria parva long-chain fatty acid CoA ligase, putative Luciferin 4-monooxygenase   550 aa 507 aa 23.5 %
Leishmania mexicana acetyl-CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 559 aa 20.6 %
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 %
Trichomonas vaginalis AMP dependent CoA ligase, putative Luciferin 4-monooxygenase   550 aa 524 aa 24.0 %
Schistosoma japonicum ko:K01897 long-chain fatty-acid-CoA ligase [EC6.2.1.3], putative Luciferin 4-monooxygenase   550 aa 541 aa 22.4 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 478 aa 21.1 %
Dictyostelium discoideum AMP-dependent synthetase and ligase domain-containing protein Luciferin 4-monooxygenase   550 aa 550 aa 20.9 %
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 %
Cryptosporidium parvum acyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 460 aa 25.7 %
Trichomonas vaginalis AMP dependent ligase/synthetase, putative Luciferin 4-monooxygenase   550 aa 526 aa 22.4 %
Trichomonas vaginalis long-chain-fatty-acid CoA ligase, putative Luciferin 4-monooxygenase   550 aa 466 aa 21.7 %
Leishmania mexicana long chain fatty Acyl CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 483 aa 23.8 %
Leishmania braziliensis acetyl-CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 603 aa 22.6 %
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 %
Echinococcus granulosus long chain fatty acid transport protein 4 Luciferin 4-monooxygenase   550 aa 476 aa 22.3 %
Schistosoma japonicum ko:K01897 long-chain fatty-acid-CoA ligase [EC6.2.1.3], putative Luciferin 4-monooxygenase   550 aa 466 aa 27.3 %
Trichomonas vaginalis AMP dependent ligase/synthetase, putative Luciferin 4-monooxygenase   550 aa 494 aa 24.3 %
Candida albicans similar to S. cerevisiae ACS2 (YLR153C) acetyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 539 aa 22.1 %
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) Luciferin 4-monooxygenase   550 aa 535 aa 23.2 %
Cryptosporidium hominis acyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 460 aa 26.1 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 535 aa 22.6 %
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 538 aa 21.8 %
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 Luciferin 4-monooxygenase   550 aa 493 aa 22.1 %
Onchocerca volvulus Matrilysin homolog Luciferin 4-monooxygenase   550 aa 466 aa 24.2 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 539 aa 19.1 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 542 aa 18.3 %
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 538 aa 21.8 %
Dictyostelium discoideum acetyl-CoA ligase Luciferin 4-monooxygenase   550 aa 549 aa 22.2 %
Trypanosoma cruzi fatty acyl CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 480 aa 25.2 %
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 Acyl CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 496 aa 22.8 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 542 aa 22.1 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 541 aa 21.4 %
Trypanosoma cruzi fatty acyl CoA synthetase 2, putative Luciferin 4-monooxygenase   550 aa 495 aa 22.6 %
Trichomonas vaginalis AMP dependent CoA ligase, putative Luciferin 4-monooxygenase   550 aa 527 aa 25.0 %
Trypanosoma cruzi fatty acyl CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 482 aa 24.7 %
Trichomonas vaginalis AMP dependent ligase/synthetase, putative Luciferin 4-monooxygenase   550 aa 554 aa 22.9 %
Echinococcus granulosus long chain fatty acid coenzyme A ligase 1 Luciferin 4-monooxygenase   550 aa 452 aa 26.1 %
Mycobacterium ulcerans acyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 593 aa 22.1 %
Trichomonas vaginalis AMP dependent ligase, putative Luciferin 4-monooxygenase   550 aa 445 aa 26.1 %
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD29 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) Luciferin 4-monooxygenase   550 aa 617 aa 22.2 %
Leishmania braziliensis acetyl-CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 596 aa 21.1 %
Dictyostelium discoideum fatty acyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 462 aa 23.8 %
Neospora caninum Short-chain dehydrogenase/reductase SDR, related Luciferin 4-monooxygenase   550 aa 518 aa 19.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0263 0.1574 0.1574
Brugia malayi Carboxylesterase family protein 0.0263 0.1574 0.1547
Echinococcus multilocularis carboxylesterase 5A 0.1557 1 1
Brugia malayi Carboxylesterase family protein 0.1557 1 1
Echinococcus granulosus survival motor neuron protein 1 0.0231 0.1363 0.1335
Onchocerca volvulus 0.0263 0.1574 1
Mycobacterium ulcerans DNA polymerase IV 0.0045 0.0154 0.098
Loa Loa (eye worm) hypothetical protein 0.0029 0.0047 0.0047
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0029 0.0047 0.0299
Onchocerca volvulus 0.0263 0.1574 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0029 0.0047 0.0299
Brugia malayi hypoxia-induced factor 1 0.0176 0.1006 0.0977
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0039 0.0112 0.0712
Trypanosoma brucei DNA polymerase IV, putative 0.0045 0.0154 0.3199
Echinococcus granulosus microtubule associated protein 2 0.0806 0.5108 0.5093
Echinococcus multilocularis transfer RNA-Lys 0.0042 0.0134 0.0103
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.0263 0.1574 0.1574
Mycobacterium ulcerans DNA polymerase IV 0.0045 0.0154 0.098
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0026 0.0032 0.0032
Trichomonas vaginalis spcc417.12 protein, putative 0.0263 0.1574 1
Schistosoma mansoni gliotactin 0.0263 0.1574 0.1547
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0047 0.0299
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0263 0.1574 0.1547
Mycobacterium ulcerans carboxylesterase, LipT 0.0263 0.1574 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0045 0.0154 0.098
Loa Loa (eye worm) carboxylesterase 0.0263 0.1574 0.1574
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0167 0.0136
Schistosoma mansoni terminal deoxycytidyl transferase 0.0045 0.0154 0.0123
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0154 0.3199
Schistosoma mansoni microtubule-associated protein tau 0.0806 0.5108 0.5093
Loa Loa (eye worm) inositol-1 0.0043 0.0142 0.0142
Loa Loa (eye worm) hypothetical protein 0.0029 0.0047 0.0047
Schistosoma mansoni acetylcholinesterase 0.0263 0.1574 0.1547
Loa Loa (eye worm) hypothetical protein 0.0191 0.1102 0.1102
Leishmania major DNA polymerase eta, putative 0.0075 0.0348 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0075 0.0348 1
Echinococcus multilocularis acetylcholinesterase 0.1557 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0045 0.0154 0.0123
Schistosoma mansoni hypothetical protein 0.0047 0.0167 0.0136
Schistosoma mansoni single-minded 0.0057 0.0231 0.0199
Onchocerca volvulus 0.0263 0.1574 1
Brugia malayi ImpB/MucB/SamB family protein 0.0075 0.0348 0.0317
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 0.0154 0.0612
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0263 0.1574 1
Loa Loa (eye worm) hypoxia-induced factor 1 0.0176 0.1006 0.1006
Loa Loa (eye worm) carboxylesterase 0.1557 1 1
Brugia malayi Carboxylesterase family protein 0.0263 0.1574 0.1547
Loa Loa (eye worm) acetylcholinesterase 1 0.1557 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0045 0.0154 0.098
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0045 0.0154 0.0154
Echinococcus granulosus acetylcholinesterase 0.1557 1 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0029 0.0047 0.0299
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0044 0.0145 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0029 0.0047 0.0299
Echinococcus granulosus BC026374 protein S09 family 0.0263 0.1574 0.1547
Mycobacterium tuberculosis Carboxylesterase LipT 0.0263 0.1574 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0077 0.0045
Leishmania major DNA polymerase eta, putative 0.0044 0.0145 0.327
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 0.0154 0.0612
Echinococcus granulosus single minded 2 0.0042 0.0134 0.0103
Loa Loa (eye worm) hypothetical protein 0.0033 0.0077 0.0077
Schistosoma mansoni aryl hydrocarbon receptor 0.0057 0.0231 0.0199
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0154 0.3199
Loa Loa (eye worm) hypothetical protein 0.0026 0.0029 0.0029
Echinococcus granulosus dna polymerase kappa 0.0045 0.0154 0.0123
Loa Loa (eye worm) DEAH box polypeptide 35 0.019 0.1095 0.1095
Trypanosoma brucei DNA polymerase IV, putative 0.0045 0.0154 0.3199
Brugia malayi hypothetical protein 0.0263 0.1574 0.1547
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0039 0.0112 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0142 0.3139
Loa Loa (eye worm) hypothetical protein 0.0049 0.0177 0.0177
Trichomonas vaginalis DNA polymerase eta, putative 0.0045 0.0154 0.0088
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0263 0.1574 0.1547
Onchocerca volvulus 0.0029 0.0047 0.0098
Schistosoma mansoni survival motor neuron protein 0.0047 0.0167 0.0136
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0154 0.3199
Brugia malayi Carboxylesterase family protein 0.0263 0.1574 0.1547
Brugia malayi hypothetical protein 0.0231 0.1363 0.1335
Mycobacterium ulcerans hypothetical protein 0.0029 0.0047 0.0299
Loa Loa (eye worm) hypothetical protein 0.0263 0.1574 0.1574
Schistosoma mansoni BC026374 protein (S09 family) 0.0263 0.1574 0.1547
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 0.0154 0.0612
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0047 0.0299
Brugia malayi PAS domain containing protein 0.0057 0.0231 0.0199
Loa Loa (eye worm) carboxylesterase 0.0263 0.1574 0.1574
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1557 1 1
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0047 0.0015
Echinococcus multilocularis microtubule associated protein 2 0.0806 0.5108 0.5093
Echinococcus multilocularis acetylcholinesterase 0.1557 1 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0348 0.0348
Trypanosoma brucei unspecified product 0.0045 0.0154 0.3199
Mycobacterium ulcerans putative regulatory protein 0.0042 0.0134 0.0854
Echinococcus multilocularis neuroligin 0.0263 0.1574 0.1547
Echinococcus multilocularis BC026374 protein (S09 family) 0.0263 0.1574 0.1547
Trypanosoma brucei DNA polymerase IV, putative 0.0045 0.0154 0.3199
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0045 0.0154 0.0123
Leishmania major DNA polymerase kappa, putative 0.0045 0.0154 0.356
Plasmodium vivax acyl-CoA synthetase, putative 0.0021 0 0.5
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0047 0.0015
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0047 0.0299
Loa Loa (eye worm) hypothetical protein 0.0263 0.1574 0.1574
Echinococcus granulosus carboxylesterase 5A 0.1557 1 1
Loa Loa (eye worm) hypothetical protein 0.0263 0.1574 0.1574
Brugia malayi Carboxylesterase family protein 0.0263 0.1574 0.1547
Loa Loa (eye worm) hypothetical protein 0.1557 1 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0029 0.0047 0.0299
Loa Loa (eye worm) hypothetical protein 0.0263 0.1574 0.1574
Onchocerca volvulus 0.0263 0.1574 1
Echinococcus multilocularis inositol monophosphatase 1 0.0043 0.0142 0.011
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0154 0.3199
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0177 0.0146
Loa Loa (eye worm) hypothetical protein 0.0231 0.1363 0.1363
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0043 0.0142 0.882
Loa Loa (eye worm) hypothetical protein 0.019 0.1095 0.1095
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0177 0.0146
Onchocerca volvulus 0.0047 0.0167 0.0876
Echinococcus granulosus para nitrobenzyl esterase 0.0263 0.1574 0.1547
Echinococcus granulosus inositol monophosphatase 1 0.0043 0.0142 0.011
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0043 0.0142 0.0899
Schistosoma mansoni hypothetical protein 0.0033 0.0077 0.0045
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0045 0.0154 0.0088
Echinococcus multilocularis para nitrobenzyl esterase 0.0263 0.1574 0.1547
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0032 0.0032
Schistosoma mansoni neuroligin 3 (S09 family) 0.0263 0.1574 0.1547
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0021 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0154 0.3199
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0154 0.3199
Echinococcus multilocularis survival motor neuron protein 1 0.0231 0.1363 0.1335
Loa Loa (eye worm) hypothetical protein 0.0029 0.0047 0.0047
Trypanosoma brucei DNA polymerase eta, putative 0.0075 0.0348 1
Plasmodium falciparum acyl-CoA synthetase 0.0021 0 0.5
Echinococcus granulosus dna polymerase eta 0.0075 0.0348 0.0317
Loa Loa (eye worm) hypothetical protein 0.1557 1 1
Schistosoma mansoni inositol monophosphatase 0.0043 0.0142 0.011
Schistosoma mansoni DNA polymerase eta 0.0075 0.0348 0.0317
Echinococcus multilocularis dna polymerase kappa 0.0045 0.0154 0.0123
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0154 0.3199
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0263 0.1574 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0045 0.0154 0.0123
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0263 0.1574 0.1547
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0045 0.0154 0.356
Entamoeba histolytica deoxycytidyl transferase, putative 0.0045 0.0154 1
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0047 0.0015
Onchocerca volvulus 0.0042 0.0134 0.0665
Schistosoma mansoni inositol monophosphatase 0.0043 0.0142 0.011
Brugia malayi Inositol-1 0.0043 0.0142 0.011
Brugia malayi Probable ATP-dependent helicase DHX35 0.019 0.1095 0.1067
Brugia malayi hypothetical protein 0.0191 0.1102 0.1073
Echinococcus multilocularis dna polymerase eta 0.0075 0.0348 0.0317
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0154 0.3199
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0154 0.3199
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0047 0.0299
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0142 0.2755
Echinococcus granulosus neuroligin 0.0263 0.1574 0.1547
Loa Loa (eye worm) hypothetical protein 0.0263 0.1574 0.1574
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0263 0.1574 0.1547
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0263 0.1574 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 0.0154 0.0612
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0045 0.0154 0.0123
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0043 0.0142 0.5
Brugia malayi bHLH-PAS transcription factor 0.0042 0.0134 0.0103
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0154 0.3199
Echinococcus granulosus acetylcholinesterase 0.1557 1 1
Giardia lamblia DINP protein human, muc B family 0.0045 0.0154 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.0145 0.0191
Onchocerca volvulus 0.0263 0.1574 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0263 0.1574 0.1547

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10.4179 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) 14.7157 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) 19.0115 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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