Detailed information for compound 1557994

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 553.594 | Formula: C26H30F3N3O5S
  • H donors: 3 H acceptors: 4 LogP: 1.09 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: N[C@H](Cc1cc(F)c(cc1F)F)CC(=O)N1CCSC1C(=O)NCc1ccc(cc1)OC(C(=O)O)C(C)C
  • InChi: 1S/C26H30F3N3O5S/c1-14(2)23(26(35)36)37-18-5-3-15(4-6-18)13-31-24(34)25-32(7-8-38-25)22(33)11-17(30)9-16-10-20(28)21(29)12-19(16)27/h3-6,10,12,14,17,23,25H,7-9,11,13,30H2,1-2H3,(H,31,34)(H,35,36)/t17-,23?,25?/m1/s1
  • InChiKey: ZLKLIPZIHIGNIB-PAQRCMFQSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Mycobacterium tuberculosis Conserved protein 0.0038 0.0911 0.0911
Echinococcus multilocularis NADH dehydrogenase (ubiquinone) flavoprotein 1 0.0079 0.2706 1
Mycobacterium ulcerans lipase LipD 0.0038 0.0911 0.3365
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0911 0.5
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0911 0.0911
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0079 0.2706 1
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial 0.0079 0.2706 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0911 0.3365
Mycobacterium leprae Probable lipase LipE 0.0038 0.0911 0.5
Leishmania major NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0079 0.2706 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1323 0.2297
Treponema pallidum nitrogen fixation protein (rnfC) 0.0018 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1323 0.2297
Loa Loa (eye worm) NADH-ubiquinone oxidoreductase 51 kDa subunit 0.0079 0.2706 1
Echinococcus granulosus NADH dehydrogenase ubiquinone flavoprotein 1 0.0079 0.2706 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1323 0.2297
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0079 0.2706 1
Wolbachia endosymbiont of Brugia malayi NADH dehydrogenase I subunit F 0.0079 0.2706 0.5
Toxoplasma gondii ABC1 family protein 0.0038 0.0911 0.5
Trichomonas vaginalis NADH-ubiquinone oxidoreductase flavoprotein, putative 0.0079 0.2706 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1323 0.2297
Mycobacterium tuberculosis Conserved protein 0.0038 0.0911 0.0911
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0911 0.0911
Schistosoma mansoni NADH-ubiquinone oxidoreductase 0.0079 0.2706 1
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0911 0.0911
Brugia malayi NADH-ubiquinone oxidoreductase 51 kDa subunit, mitochondrial precursor 0.0079 0.2706 1
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0911 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1323 0.2297
Mycobacterium tuberculosis Conserved protein 0.0038 0.0911 0.0911
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1323 0.2297
Mycobacterium ulcerans NADH dehydrogenase I subunit F 0.0079 0.2706 1
Mycobacterium ulcerans hypothetical protein 0.0038 0.0911 0.3365
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0911 0.0911
Trichomonas vaginalis NADH-ubiquinone oxidoreductase flavoprotein, putative 0.0079 0.2706 1
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0911 0.0911
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.1323 0.2297
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0911 0.0911
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0911 0.3365
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial, putative 0.0079 0.2706 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1323 0.2297
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain F) NuoF (NADH-ubiquinone oxidoreductase chain F) 0.0079 0.2706 0.2706
Onchocerca volvulus NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial homolog 0.0042 0.109 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0911 0.0911
Mycobacterium ulcerans beta-lactamase 0.0038 0.0911 0.3365
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.1323 0.2297

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

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

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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