Detailed information for compound 1300799

Basic information

Technical information
  • TDR Targets ID: 1300799
  • Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1 ,3,4-thiadiazol-2-yl)butanamide
  • MW: 334.417 | Formula: C14H14N4O2S2
  • H donors: 1 H acceptors: 4 LogP: 3.62 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(C(=O)Nc1nnc(s1)C)Sc1nc2c(o1)cccc2
  • InChi: 1S/C14H14N4O2S2/c1-3-11(12(19)16-13-18-17-8(2)21-13)22-14-15-9-6-4-5-7-10(9)20-14/h4-7,11H,3H2,1-2H3,(H,16,18,19)
  • InChiKey: KFWKZADZXDRGBM-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • 2-(1,3-benzoxazol-2-ylthio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
  • 2-(1,3-benzoxazol-2-ylthio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butyramide
  • AG-205/12140226
  • Oprea1_556326
  • A1891/0079405
  • EU-0085168
  • MLS000680351
  • SMR000268648
  • Oprea1_756352

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
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 mexicana 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 donovani 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
Mycobacterium ulcerans 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
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
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 acyl-CoA synthetase 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 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 acyl-CoA synthetase 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
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
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
Entamoeba histolytica acyl-CoA synthetase, putative 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 infantum 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 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
Mycobacterium ulcerans fatty-acid-CoA ligase 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 major 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
Plasmodium knowlesi 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
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 Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP 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
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
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 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
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
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
Loa Loa (eye worm) hypothetical 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
Cryptosporidium hominis acetyl-CoenzymeA synthetase (acetate--coa ligase) (acyl-activating enzyme) Luciferin 4-monooxygenase   550 aa 549 aa 22.6 %
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE Luciferin 4-monooxygenase   550 aa 502 aa 22.5 %
Trichomonas vaginalis AMP dependent ligase, putative Luciferin 4-monooxygenase   550 aa 445 aa 26.1 %
Babesia bovis long-chain acyl-CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 445 aa 21.8 %
Mycobacterium ulcerans non-ribosomal peptide synthetase Luciferin 4-monooxygenase   550 aa 541 aa 22.4 %
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 482 aa 24.7 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 522 aa 19.9 %
Trypanosoma cruzi fatty acyl CoA synthetase 2, putative Luciferin 4-monooxygenase   550 aa 495 aa 22.6 %
Echinococcus multilocularis long chain fatty acid coenzyme A ligase 5 Luciferin 4-monooxygenase   550 aa 458 aa 25.5 %
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD28 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) Luciferin 4-monooxygenase   550 aa 504 aa 22.6 %
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 %
Mycobacterium ulcerans fatty-acid-CoA ligase FadD11 Luciferin 4-monooxygenase   550 aa 498 aa 23.5 %
Mycobacterium ulcerans fatty-acid-CoA ligase FadD9 Luciferin 4-monooxygenase   550 aa 463 aa 21.8 %
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase FadD15 Luciferin 4-monooxygenase   550 aa 482 aa 24.3 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 558 aa 20.4 %
Leishmania braziliensis long chain fatty Acyl CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 496 aa 22.8 %
Dictyostelium discoideum fatty acyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 501 aa 24.4 %
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD26 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) Luciferin 4-monooxygenase   550 aa 560 aa 21.4 %
Entamoeba histolytica acyl-CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 446 aa 22.0 %
Onchocerca volvulus Luciferin 4-monooxygenase   550 aa 502 aa 24.9 %
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 %
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 Luciferin 4-monooxygenase   550 aa 493 aa 22.1 %
Cryptosporidium parvum acyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 460 aa 25.7 %
Echinococcus granulosus long chain fatty acid coenzyme A ligase 5 Luciferin 4-monooxygenase   550 aa 458 aa 25.8 %
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 FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) Luciferin 4-monooxygenase   550 aa 505 aa 28.1 %
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 %
Onchocerca volvulus Matrilysin homolog Luciferin 4-monooxygenase   550 aa 466 aa 24.2 %
Mycobacterium ulcerans acyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 582 aa 22.3 %
Leishmania mexicana long chain fatty Acyl CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 483 aa 23.8 %
Trichomonas vaginalis AMP dependent CoA ligase, putative Luciferin 4-monooxygenase   550 aa 524 aa 24.0 %
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 FAT1 (YBR041W) fatty acid transporter and very long-chain fatty acyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 496 aa 24.2 %
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD29 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) Luciferin 4-monooxygenase   550 aa 617 aa 22.2 %
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 %
Trypanosoma cruzi fatty acyl CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 480 aa 25.2 %
Cryptosporidium hominis acyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 460 aa 26.1 %
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative Luciferin 4-monooxygenase   550 aa 476 aa 20.8 %
Leishmania mexicana acetyl-CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 559 aa 20.6 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 478 aa 21.1 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 576 aa 19.8 %
Babesia bovis fatty acyl-CoA synthetase family protein Luciferin 4-monooxygenase   550 aa 461 aa 23.4 %
Onchocerca volvulus Lysine-specific histone demethylase 1A homolog Luciferin 4-monooxygenase   550 aa 550 aa 22.5 %
Theileria parva long-chain fatty acid CoA ligase, putative Luciferin 4-monooxygenase   550 aa 507 aa 23.5 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 463 aa 23.5 %
Dictyostelium discoideum AMP-dependent synthetase and ligase domain-containing protein Luciferin 4-monooxygenase   550 aa 545 aa 24.9 %
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) Luciferin 4-monooxygenase   550 aa 535 aa 23.2 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 535 aa 21.7 %
Onchocerca volvulus Luciferin 4-monooxygenase   550 aa 487 aa 23.8 %
Candida albicans similar to S. cerevisiae ACS2 (YLR153C) acetyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 539 aa 22.1 %
Cryptosporidium parvum acetyl-coenzyme A synthetase Luciferin 4-monooxygenase   550 aa 545 aa 22.8 %
Trichomonas vaginalis AMP dependent CoA ligase, putative Luciferin 4-monooxygenase   550 aa 492 aa 23.6 %
Mycobacterium leprae FATTY-ACID-CoA LIGASE FADD26 (FATTY-ACID-COA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) Luciferin 4-monooxygenase   550 aa 533 aa 22.7 %
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 %
Echinococcus granulosus long chain fatty acid transport protein 4 Luciferin 4-monooxygenase   550 aa 476 aa 22.3 %
Toxoplasma gondii propionate-CoA ligase Luciferin 4-monooxygenase   550 aa 550 aa 21.1 %
Cryptosporidium parvum putative long chain fatty acyl CoA synthetase having a signal peptide Luciferin 4-monooxygenase   550 aa 472 aa 24.8 %
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 541 aa 21.6 %
Echinococcus granulosus long chain fatty acid coenzyme A ligase 1 Luciferin 4-monooxygenase   550 aa 452 aa 26.1 %
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 %
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative Luciferin 4-monooxygenase   550 aa 494 aa 23.9 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 538 aa 21.8 %
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 %
Echinococcus multilocularis 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 541 aa 22.4 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 542 aa 18.3 %
Trichomonas vaginalis antibiotic synthetase, putative Luciferin 4-monooxygenase   550 aa 577 aa 22.2 %
Schistosoma japonicum ko:K01897 long-chain fatty-acid-CoA ligase [EC6.2.1.3], putative Luciferin 4-monooxygenase   550 aa 466 aa 27.3 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 542 aa 18.3 %
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 543 aa 24.5 %
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 FadD28 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) Luciferin 4-monooxygenase   550 aa 484 aa 20.5 %
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 %
Echinococcus multilocularis long chain fatty acid coenzyme A ligase 1 Luciferin 4-monooxygenase   550 aa 459 aa 27.0 %
Mycobacterium ulcerans acyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 593 aa 22.1 %
Trichomonas vaginalis long-chain-fatty-acid CoA ligase, putative Luciferin 4-monooxygenase   550 aa 466 aa 21.7 %
Trichomonas vaginalis AMP dependent ligase/synthetase, putative Luciferin 4-monooxygenase   550 aa 494 aa 24.3 %
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase Luciferin 4-monooxygenase   550 aa 509 aa 21.8 %
Schistosoma japonicum ko:K08745 solute carrier family 27 (fatty acid transporter), member 1, putative Luciferin 4-monooxygenase   550 aa 501 aa 24.6 %
Mycobacterium ulcerans acyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 601 aa 22.5 %
Neospora caninum acetyl-coenzyme a synthetase, putative Luciferin 4-monooxygenase   550 aa 549 aa 20.9 %
Trichomonas vaginalis long-chain-fatty-acid CoA ligase, putative Luciferin 4-monooxygenase   550 aa 490 aa 23.3 %
Leishmania braziliensis acetyl-CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 603 aa 22.6 %
Leishmania braziliensis acetyl-CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 596 aa 21.1 %
Mycobacterium tuberculosis Probable acyl-CoA ligase FadD31 (acyl-CoA synthetase) (acyl-CoA synthase) Luciferin 4-monooxygenase   550 aa 592 aa 20.4 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 499 aa 19.2 %
Mycobacterium ulcerans acyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 530 aa 23.8 %
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 %
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 535 aa 22.6 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 542 aa 22.1 %
Trichomonas vaginalis AMP dependent ligase/synthetase, putative Luciferin 4-monooxygenase   550 aa 554 aa 22.9 %
Trichomonas vaginalis antibiotic synthetase, putative Luciferin 4-monooxygenase   550 aa 581 aa 21.2 %
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 484 aa 26.0 %
Dictyostelium discoideum fatty acyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 462 aa 23.8 %
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF Luciferin 4-monooxygenase   550 aa 558 aa 20.1 %
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 507 aa 20.9 %
Dictyostelium discoideum AMP-dependent synthetase and ligase domain-containing protein Luciferin 4-monooxygenase   550 aa 550 aa 20.9 %
Trichomonas vaginalis AMP dependent ligase/synthetase, putative Luciferin 4-monooxygenase   550 aa 526 aa 22.4 %
Candida albicans similar to S. cerevisiae ACS2 (YLR153C) acetyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 539 aa 22.1 %
Dictyostelium discoideum AMP-dependent synthetase and ligase domain-containing protein Luciferin 4-monooxygenase   550 aa 531 aa 19.0 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 539 aa 19.1 %
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) Luciferin 4-monooxygenase   550 aa 509 aa 22.6 %
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 %
Brugia malayi AMP-binding enzyme family protein Luciferin 4-monooxygenase   550 aa 544 aa 21.5 %
Mycobacterium ulcerans acyl-CoA synthetase Luciferin 4-monooxygenase   550 aa 497 aa 19.3 %
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 %
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein Luciferin 4-monooxygenase   550 aa 476 aa 22.5 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Leishmania braziliensis long-chain-fatty-acid-CoA ligase, putative Luciferin 4-monooxygenase   550 aa 504 aa 25.6 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 522 aa 19.9 %
Loa Loa (eye worm) AMP-binding enzyme family protein Luciferin 4-monooxygenase   550 aa 489 aa 23.3 %
Brugia malayi AMP-binding enzyme family protein Luciferin 4-monooxygenase   550 aa 497 aa 24.7 %
Trichomonas vaginalis AMP dependent CoA ligase, putative Luciferin 4-monooxygenase   550 aa 527 aa 25.0 %
Mycobacterium ulcerans putative fatty-acid--CoA ligase Luciferin 4-monooxygenase   550 aa 576 aa 20.8 %
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 %
Leishmania donovani long chain fatty Acyl CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 500 aa 23.4 %
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 %
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 %
Toxoplasma gondii type I fatty acid synthase, putative Luciferin 4-monooxygenase   550 aa 514 aa 19.8 %
Neospora caninum Short-chain dehydrogenase/reductase SDR, related Luciferin 4-monooxygenase   550 aa 518 aa 19.1 %
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 %
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative Luciferin 4-monooxygenase   550 aa 480 aa 21.5 %
Trypanosoma brucei fatty acyl CoA synthetase 3 Luciferin 4-monooxygenase   550 aa 491 aa 23.6 %
Trichomonas vaginalis AMP dependent ligase/synthetase, putative Luciferin 4-monooxygenase   550 aa 476 aa 23.5 %
Trypanosoma congolense fatty acyl CoA synthetase 2, putative Luciferin 4-monooxygenase   550 aa 500 aa 22.4 %
Trypanosoma brucei gambiense fatty acyl CoA synthetase 3 Luciferin 4-monooxygenase   550 aa 491 aa 23.6 %
Dictyostelium discoideum acetyl-CoA ligase Luciferin 4-monooxygenase   550 aa 549 aa 22.2 %
Dictyostelium discoideum hypothetical protein Luciferin 4-monooxygenase   550 aa 541 aa 21.4 %
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 %
Leishmania major long chain fatty Acyl CoA synthetase, putative Luciferin 4-monooxygenase   550 aa 482 aa 23.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0008 0.0282 0.0546
Brugia malayi hypothetical protein 0.0038 0.7492 0.7419
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.1199 0.0944
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.1199 0.0944
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.1199 0.0944
Brugia malayi AMP-binding enzyme family protein 0.0029 0.5166 0.5025
Schistosoma mansoni hypothetical protein 0.0038 0.7492 0.7419
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.1199 0.0944
Loa Loa (eye worm) hypothetical protein 0.0012 0.1199 0.0944
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.1199 0.1878
Entamoeba histolytica acyl-coA synthetase, putative 0.0029 0.5166 0.6773
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0029 0.5166 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.5166 0.5025
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.1199 0.0944
Loa Loa (eye worm) hypothetical protein 0.0021 0.3418 0.3227
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0021 0.3418 0.6421
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0008 0.0282 0.0546
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.1199 0.0944
Entamoeba histolytica hypothetical protein 0.0038 0.7492 1
Toxoplasma gondii propionate-CoA ligase 0.0008 0.0282 0.5
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0008 0.0282 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.1199 0.1878
Loa Loa (eye worm) hypothetical protein 0.0021 0.3418 0.3227
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.1199 0.0944
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.1199 0.0944
Entamoeba histolytica hypothetical protein 0.0038 0.7492 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 1 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0029 0.5166 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.3136 0.6071
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0008 0.0282 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.1199 0.0944
Plasmodium falciparum acyl-CoA synthetase 0.0021 0.3418 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.1199 0.0944
Onchocerca volvulus 0.0029 0.5166 1
Schistosoma mansoni nuclear hormone receptor 0.0012 0.1199 0.0944
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.1199 0.0944
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0008 0.0282 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.5166 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.1199 0.0944
Onchocerca volvulus 0.0012 0.1199 0.1878
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.3136 0.6071
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.1199 0.0944
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.1199 0.0944
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.1199 0.0944
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.1199 0.0944
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0008 0.0282 0.0546
Trichomonas vaginalis antibiotic synthetase, putative 0.0008 0.0282 0.5
Brugia malayi nuclear hormone receptor 0.0012 0.1199 0.0944
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.1199 0.0944
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.1199 0.0944
Loa Loa (eye worm) hypothetical protein 0.0012 0.1199 0.0944
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.1199 0.0944
Loa Loa (eye worm) hypothetical protein 0.0021 0.3418 0.3227
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.5166 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.1199 0.0944
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.1199 0.0944
Trichomonas vaginalis antibiotic synthetase, putative 0.0008 0.0282 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.1199 0.0944
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0021 0.3418 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.1199 0.0944
Plasmodium vivax acyl-CoA synthetase, putative 0.0021 0.3418 1
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.1199 0.0944
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.1199 0.0944
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.1199 0.0944
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.1199 0.0944
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.1199 0.0944
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.3418 0.3227
Entamoeba histolytica hypothetical protein 0.0038 0.7492 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.7492 0.7419
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.5166 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 1 1
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0008 0.0282 0.0546
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.1199 0.0944
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.1199 0.0944
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.3136 0.6071
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.1199 0.0944
Brugia malayi nuclear receptor NHR-88 0.0012 0.1199 0.0944
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.1199 0.0944
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.1199 0.0944
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.7492 0.7419
Entamoeba histolytica acyl-CoA synthetase, putative 0.0029 0.5166 0.6773
Entamoeba histolytica acyl-CoA synthetase, putative 0.0029 0.5166 0.6773
Schistosoma mansoni thyroid hormone receptor 0.0012 0.1199 0.0944
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.5166 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.5166 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 1 1
Schistosoma mansoni thyroid hormone receptor 0.0012 0.1199 0.0944
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0282 0.0546
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0008 0.0282 0.5
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0008 0.0282 0.0546
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.5166 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.1199 0.0944
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.1199 0.0944
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.1199 0.0944
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.1199 0.0944
Loa Loa (eye worm) hypothetical protein 0.0012 0.1199 0.0944
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.1199 0.0944
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.1199 0.0944
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.1199 0.0944
Brugia malayi AMP-binding enzyme family protein 0.0029 0.5166 0.5025
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0008 0.0282 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.7492 0.7419
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0029 0.5166 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.1199 0.0944
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.1199 0.0944
Loa Loa (eye worm) hypothetical protein 0.0029 0.5166 0.5025
Brugia malayi AMP-binding enzyme family protein 0.0029 0.5166 0.5025
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.3136 0.6071
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.3418 0.6617
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0008 0.0282 0.5
Brugia malayi ecdysteroid receptor 0.0012 0.1199 0.0944
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.1199 0.0944
Entamoeba histolytica hypothetical protein 0.0038 0.7492 1
Echinococcus granulosus FTZ F1 alpha 0.0012 0.1199 0.0944
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0008 0.0282 0.5
Schistosoma mansoni coup transcription factor 0.0012 0.1199 0.0944
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0282 0.0546
Loa Loa (eye worm) hypothetical protein 0.0021 0.3418 0.3227
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.1199 0.0944
Loa Loa (eye worm) hypothetical protein 0.0029 0.5166 0.5025
Mycobacterium ulcerans hypothetical protein 0.0029 0.5166 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.1199 0.0944
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.1199 0.0944
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0029 0.5166 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.5166 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0029 0.5166 1
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0008 0.0282 0.0546
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.1199 0.0944
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.1199 0.0944
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0008 0.0282 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.1199 0.0944
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.1199 0.0944
Loa Loa (eye worm) hypothetical protein 0.0012 0.1199 0.0944
Loa Loa (eye worm) hypothetical protein 0.0012 0.1199 0.0944
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.1199 0.1878
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0282 0.0546
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0282 0.0546
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0008 0.0282 0.0546
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0029 0.5166 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.1199 0.0944
Brugia malayi steroid hormone receptor 0.0012 0.1199 0.0944
Loa Loa (eye worm) hypothetical protein 0.0012 0.1199 0.0944
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0029 0.5166 1
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.1199 0.0944

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) > 100 uM HepG2 CC50 (uM) Cytotoxicity ChEMBL. No reference
Inhibition (binding) Compound was evaluated for the inhibition of human FECH at 10uM MMV_PBOX. No reference
MIC (functional) = 9.4 uM AntiMycobacterium tuberculosis activity 1-week GAST/Fe MIC (uM) ChEMBL. No reference
MIC (functional) = 12.5 uM AntiMycobacterium tuberculosis activity 2-week GAST/Fe MIC (uM) ChEMBL. No reference
MIC (functional) > 50 uM AntiMycobacterium tuberculosis activity 1-week 7H9/DPPC/cholesterol/BSA/Tx MIC (uM) ChEMBL. No reference
MIC (functional) > 50 uM AntiMycobacterium tuberculosis activity 1-week 7H9/ADC/Tw MIC (uM) ChEMBL. No reference
MIC (functional) > 50 uM AntiMycobacterium tuberculosis activity 1-week 7H9/glucose/BSA/Tx MIC (uM) ChEMBL. No reference
MIC (functional) > 50 uM AntiMycobacterium tuberculosis activity 1-week 7H9/cholesterol/BSA/Tx MIC (uM) ChEMBL. No reference
MIC (functional) > 50 uM AntiMycobacterium tuberculosis activity 2-week 7H9/DPPC/cholesterol/BSA/Tx MIC (uM) ChEMBL. No reference
MIC (functional) > 50 uM AntiMycobacterium tuberculosis activity day 21 MIC99 in 7H9/2.5mM butyrate/pH6/0.1mM nitrite MIC99 (uM) ChEMBL. No reference
MIC (functional) > 50 uM AntiMycobacterium tuberculosis activity 2-week Alamar Blue 7H9/cholesterol/BSA/Tx MIC (uM) ChEMBL. No reference
MIC (functional) > 50 uM AntiMycobacterium tuberculosis activity 2-week Alamar Blue 7H9/ADC/Tw MIC (uM) ChEMBL. No reference
MIC (functional) > 50 uM AntiMycobacterium tuberculosis activity 2-week 7H9/glucose/BSA/Tx MIC (uM) ChEMBL. No reference
MIC (functional) > 50 uM AntiMycobacterium tuberculosis activity 2-week 7H9/ADC/Tw MIC (uM) ChEMBL. No reference
MIC90 (functional) = 4.49 uM AntiMycobacterium tuberculosis activity Non-Replicating form: Average MIC90 (uM) ChEMBL. No reference
MIC90 (functional) = 50 uM AntiMycobacterium tuberculosis activity day 21 in 7H9/2.5mM butyrate/pH6/0.1mM nitrite MIC90 (uM) ChEMBL. No reference
MIC90 (functional) > 50 uM AntiMycobacterium tuberculosis activity day 10 in 7H9/2.5mM butyrate/pH6/0.1mM nitrite MIC90 (uM) ChEMBL. No reference
MIC90 (functional) = 50 uM AntiMycobacterium tuberculosis activity day 10 in 7H9/2.5mM butyrate/pH6/0.1mM nitrite MIC90 (uM) ChEMBL. No reference
MIC90 (functional) = 68.37 uM AntiMycobacterium tuberculosis activity Replicating form: Average MIC90 (uM) ChEMBL. No reference
Potency (functional) 3.6964 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) 6.012 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) = 10 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 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) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Saccharomyces cerevisiae ChEMBL23
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.
 
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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