Detailed information for compound 1862983

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 566.621 | Formula: C31H36F6N2O
  • H donors: 1 H acceptors: 2 LogP: 8.72 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCCN(CC(c1cc(nc(c1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)O)CCCCC
  • InChi: 1S/C31H36F6N2O/c1-3-5-7-17-39(18-8-6-4-2)21-29(40)24-19-27(22-9-13-25(14-10-22)30(32,33)34)38-28(20-24)23-11-15-26(16-12-23)31(35,36)37/h9-16,19-20,29,40H,3-8,17-18,21H2,1-2H3
  • InChiKey: MPHJMDVXKLISDX-UHFFFAOYSA-N  


Substructure search Similarity search

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
Brugia malayi beta-lactamase family protein 0.0068 0.0913 0.1058
Schistosoma mansoni hypothetical protein 0.0091 0.1371 0.5876
Brugia malayi Ubiquitin-like protein SMT3 0.0027 0.0095 0.0085
Plasmodium vivax small ubiquitin-related modifier, putative 0.0027 0.0095 0.1042
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.3163 0.3266
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0023 0.0023 0.0254
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0064 0.0833 0.0812
Brugia malayi jmjC domain containing protein 0.0051 0.0584 0.0667
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0068 0.0913 0.1058
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0118 0.1925 0.2262
Leishmania major hypothetical protein, conserved 0.005 0.0564 0.6082
Trypanosoma cruzi hypothetical protein, conserved 0.0068 0.0913 1
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0098 0.107
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.3163 0.3266
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0098 0.0837
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.3163 0.3266
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.005 0.0564 0.6082
Trichomonas vaginalis glucosylceramidase, putative 0.0275 0.505 0.5229
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0163 0.2813 0.2848
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0068 0.0913 0.0663
Mycobacterium tuberculosis Conserved protein 0.0068 0.0913 0.0663
Echinococcus multilocularis survival motor neuron protein 1 0.0444 0.8432 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0118 0.1925 0.1907
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0163 0.2813 0.2902
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0068 0.0913 0.3877
Echinococcus granulosus survival motor neuron protein 1 0.0444 0.8432 0.8429
Onchocerca volvulus Glucosylceramidase homolog 0.018 0.3163 1
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0163 0.2813 1
Plasmodium vivax hypothetical protein, conserved 0.0068 0.0913 1
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0118 0.1925 0.8292
Mycobacterium ulcerans hypothetical protein 0.0068 0.0913 0.0399
Brugia malayi hypothetical protein 0.0027 0.0098 0.0088
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0163 0.2813 0.2902
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0023 0.0023 0.0254
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0068 0.0913 0.3877
Schistosoma mansoni peptidase Clp (S14 family) 0.0064 0.0833 0.3532
Loa Loa (eye worm) SMO-1 protein 0.0027 0.0095 0.0085
Trichomonas vaginalis glucosylceramidase, putative 0.0275 0.505 0.5229
Trichomonas vaginalis pps1 dual specificty phosphatase, putative 0.0504 0.9637 1
Mycobacterium tuberculosis Probable hydrolase 0.0068 0.0913 0.0663
Brugia malayi hypothetical protein 0.0444 0.8432 1
Trypanosoma cruzi small ubiquitin protein, putative 0.0027 0.0095 0.0808
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0098 0.107
Trichomonas vaginalis glucosylceramidase, putative 0.019 0.3357 0.3468
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0064 0.0833 0.9134
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.005 0.0564 0.0563
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0068 0.0913 0.0663
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0275 0.505 0.5978
Schistosoma mansoni jumonji/arid domain-containing protein 0.0051 0.0584 0.2445
Trichomonas vaginalis penicillin-binding protein, putative 0.0068 0.0913 0.0925
Loa Loa (eye worm) hypothetical protein 0.0068 0.0913 0.1058
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0051 0.0584 0.0667
Toxoplasma gondii small ubiquitin family modifier, putative 0.0027 0.0095 0.1042
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0163 0.2813 0.2902
Mycobacterium tuberculosis Conserved protein 0.0068 0.0913 0.0663
Loa Loa (eye worm) jmjC domain-containing protein 0.0051 0.0584 0.0667
Plasmodium vivax hypothetical protein, conserved 0.0023 0.0023 0.0254
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0064 0.0833 0.9134
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0163 0.2813 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0068 0.0913 0.0925
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0064 0.0833 0.0964
Brugia malayi beta-lactamase family protein 0.0068 0.0913 0.1058
Trichomonas vaginalis D-aminoacylase, putative 0.0068 0.0913 0.0925
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0118 0.1925 0.1907
Trichomonas vaginalis D-aminoacylase, putative 0.0068 0.0913 0.0925
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.3163 0.3266
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0118 0.1925 0.2262
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0118 0.1925 0.2262
Schistosoma mansoni ubiquitin-like protein sumo/smt3-related 0.0027 0.0095 0.0313
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.3163 0.3266
Plasmodium falciparum small ubiquitin-related modifier 0.0027 0.0095 0.1141
Onchocerca volvulus 0.0068 0.0913 0.2832
Schistosoma mansoni hypothetical protein 0.0138 0.2317 1
Onchocerca volvulus 0.0068 0.0913 0.2832
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.3163 0.3266
Schistosoma mansoni hypothetical protein 0.0138 0.2317 1
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.3163 0.3266
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0041 0.0372 0.0415
Brugia malayi hypothetical protein 0.0077 0.1093 0.1273
Echinococcus multilocularis Small ubiquitin modifier 2 0.0027 0.0095 0.0085
Entamoeba histolytica dual specificity protein phosphatase, putative 0.0504 0.9637 1
Leishmania major small ubiquitin protein, putative 0.0027 0.0095 0.0808
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0042 0.0395 0.4333
Trypanosoma cruzi hypothetical protein, conserved 0.005 0.0564 0.6082
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0051 0.0584 0.0562
Loa Loa (eye worm) hypothetical protein 0.0444 0.8432 1
Mycobacterium tuberculosis Probable lipase LipD 0.0068 0.0913 0.0663
Mycobacterium tuberculosis Probable esterase LipL 0.0068 0.0913 0.0663
Loa Loa (eye worm) hypothetical protein 0.0077 0.1093 0.1273
Brugia malayi jmjC domain containing protein 0.0051 0.0584 0.0667
Onchocerca volvulus 0.0068 0.0913 0.2832
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0091 0.1371 0.1603
Schistosoma mansoni hypothetical protein 0.0028 0.0116 0.0405
Trichomonas vaginalis glucosylceramidase, putative 0.019 0.3357 0.3468
Mycobacterium tuberculosis Probable lipase LipE 0.0068 0.0913 0.0663
Echinococcus granulosus beta LACTamase domain containing family member 0.0068 0.0913 0.0891
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0432 0.8191 1
Trichomonas vaginalis esterase, putative 0.0068 0.0913 0.0925
Onchocerca volvulus 0.0091 0.1371 0.4293
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0118 0.1925 0.2262
Trypanosoma brucei small ubiquitin-related modifier 0.0027 0.0095 0.0808
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0163 0.2813 0.2902
Mycobacterium ulcerans lipase LipD 0.0068 0.0913 0.0399
Echinococcus granulosus peptidase Clp S14 family 0.0042 0.0395 0.0373
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0064 0.0833 0.9134
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0041 0.0372 0.0415
Loa Loa (eye worm) hypothetical protein 0.0068 0.0913 0.1058
Echinococcus granulosus geminin 0.0138 0.2317 0.2299
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0068 0.0913 0.0663
Trichomonas vaginalis D-aminoacylase, putative 0.0068 0.0913 0.0925
Trypanosoma cruzi small ubiquitin protein, putative 0.0027 0.0095 0.0808
Brugia malayi beta-lactamase 0.0068 0.0913 0.1058
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0098 0.1171
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0023 0.0023 0.0254
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0095 0.0075
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0163 0.2813 0.2848
Trypanosoma cruzi hypothetical protein, conserved 0.0068 0.0913 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.0913 0.1058
Loa Loa (eye worm) hypothetical protein 0.0041 0.0372 0.0415
Trypanosoma brucei hypothetical protein, conserved 0.0068 0.0913 1
Mycobacterium ulcerans beta-lactamase 0.0068 0.0913 0.0399
Echinococcus multilocularis peptidase Clp (S14 family) 0.0042 0.0395 0.0443
Echinococcus granulosus lysine specific demethylase 5A 0.0051 0.0584 0.0562
Plasmodium vivax metacaspase 1, putative 0.0023 0.0023 0.0254
Loa Loa (eye worm) hypothetical protein 0.0068 0.0913 0.1058
Brugia malayi latrophilin 2 splice variant baaae 0.0028 0.0116 0.011
Loa Loa (eye worm) hypothetical protein 0.0077 0.1093 0.1273
Brugia malayi Probable ClpP-like protease 0.0064 0.0833 0.0964
Plasmodium falciparum metacaspase-like protein 0.0023 0.0023 0.0279
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0163 0.2813 0.3317
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0113 0.1811 0.1816
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0064 0.0833 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0275 0.505 0.5229
Trypanosoma cruzi hypothetical protein, conserved 0.005 0.0564 0.6082
Trichomonas vaginalis glucosylceramidase, putative 0.0275 0.505 0.5229
Mycobacterium leprae conserved hypothetical protein 0.0068 0.0913 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0163 0.2813 0.2902
Schistosoma mansoni jumonji/arid domain-containing protein 0.0051 0.0584 0.2445
Mycobacterium tuberculosis Conserved protein 0.0068 0.0913 0.0663
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0064 0.0833 1
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0163 0.2813 0.3317
Echinococcus multilocularis beta LACTamase domain containing family member 0.0068 0.0913 0.1058
Plasmodium falciparum metacaspase 1 0.0023 0.0023 0.0279
Mycobacterium ulcerans esterase/lipase LipP 0.0068 0.0913 0.0399
Leishmania major hypothetical protein, conserved 0.0068 0.0913 1
Trichomonas vaginalis glucosylceramidase, putative 0.0275 0.505 0.5229
Toxoplasma gondii ABC1 family protein 0.0068 0.0913 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0064 0.0833 0.9134
Loa Loa (eye worm) hypothetical protein 0.0028 0.0116 0.011
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0098 0.0837
Schistosoma mansoni eyes absent homolog 0.0077 0.1093 0.4665
Loa Loa (eye worm) hypothetical protein 0.0068 0.0913 0.1058
Trichomonas vaginalis glucosylceramidase, putative 0.0275 0.505 0.5229
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.005 0.0564 0.0563
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0068 0.0913 0.1058
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0098 0.1171
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0064 0.0833 0.5
Loa Loa (eye worm) hypothetical protein 0.0064 0.0833 0.0964
Schistosoma mansoni survival motor neuron protein 0.0091 0.1371 0.5876
Loa Loa (eye worm) beta-lactamase 0.0068 0.0913 0.1058
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0098 0.0837
Loa Loa (eye worm) hypothetical protein 0.0027 0.0098 0.0088
Onchocerca volvulus 0.0163 0.2813 0.8885
Loa Loa (eye worm) hypothetical protein 0.0068 0.0913 0.1058
Echinococcus granulosus Small ubiquitin modifier 2 0.0027 0.0095 0.0072
Echinococcus multilocularis lysine specific demethylase 5A 0.0051 0.0584 0.0667
Brugia malayi Calcitonin receptor-like protein seb-1 0.0041 0.0372 0.0415
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0064 0.0833 0.5
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0163 0.2813 0.2902
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0064 0.0833 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0068 0.0913 0.0399
Leishmania major hypothetical protein, conserved 0.0027 0.0098 0.0837
Mycobacterium leprae Probable lipase LipE 0.0068 0.0913 1
Echinococcus multilocularis geminin 0.0138 0.2317 0.2728
Schistosoma mansoni jumonji domain containing protein 0.0051 0.0584 0.2445
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0275 0.505 0.5978

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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