Detailed information for compound 759290

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 467.941 | Formula: C26H26ClNO5
  • H donors: 1 H acceptors: 2 LogP: 3.86 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=C1C(=NC2=C(C1c1cccc(c1)Cl)C(=O)CC(C2)c1ccc(c(c1)OC)OC)C)O
  • InChi: 1S/C26H26ClNO5/c1-14-23(26(30)33-4)24(16-6-5-7-18(27)10-16)25-19(28-14)11-17(12-20(25)29)15-8-9-21(31-2)22(13-15)32-3/h5-10,13,17,24,30H,11-12H2,1-4H3
  • InChiKey: QUMXTKIVGZCJAH-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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 Muscleblind-like protein 0.0142 0.167 0.3978
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0012 0.5
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0035 0.0254 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0035 0.0254 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0035 0.0254 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.0088 0.0186
Schistosoma mansoni inositol monophosphatase 0.0035 0.0254 0.0115
Loa Loa (eye worm) inositol-1 0.0035 0.0254 0.0597
Echinococcus multilocularis survival motor neuron protein 1 0.0225 0.2767 0.2656
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0088 0.3118
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0012 0.5
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0035 0.0254 0.5
Echinococcus granulosus inositol monophosphatase 1 0.0035 0.0254 0.0115
Loa Loa (eye worm) hypothetical protein 0.0142 0.167 0.409
Loa Loa (eye worm) hypothetical protein 0.0225 0.2767 0.6796
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0088 0.3118
Loa Loa (eye worm) hypothetical protein 0.0023 0.0088 0.0186
Echinococcus granulosus geminin 0.017 0.2042 0.2112
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0012 0.5
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0088 0.3118
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0035 0.0254 1
Echinococcus granulosus microtubule associated protein 2 0.0703 0.9106 1
Mycobacterium ulcerans hypothetical protein 0.0023 0.0088 0.3118
Echinococcus multilocularis muscleblind protein 0.0142 0.167 0.1543
Brugia malayi Inositol-1 0.0035 0.0254 0.0419
Schistosoma mansoni hypothetical protein 0.0046 0.0396 0.0274
Brugia malayi hypothetical protein 0.0027 0.0151 0.0159
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0035 0.0254 0.5
Schistosoma mansoni survival motor neuron protein 0.0046 0.0396 0.0274
Brugia malayi tumor suppressor. 0.0323 0.4065 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.167 0.409
Echinococcus multilocularis inositol monophosphatase 1 0.0035 0.0254 0.0105
Onchocerca volvulus 0.0046 0.0396 0.9524
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0035 0.0254 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0088 0.3118
Brugia malayi hypothetical protein 0.0225 0.2767 0.6735
Schistosoma mansoni inositol monophosphatase 0.0035 0.0254 0.0115
Onchocerca volvulus 0.0047 0.0412 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0031 0.0205 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0012 0.0593
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0046 0.0396 0.0776
Schistosoma mansoni hypothetical protein 0.017 0.2042 0.2112
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0088 0.3118
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0088 0.3118
Loa Loa (eye worm) hypothetical protein 0.0023 0.0088 0.0186
Echinococcus multilocularis muscleblind protein 1 0.0142 0.167 0.1543
Echinococcus granulosus muscleblind protein 0.0142 0.167 0.1696
Echinococcus multilocularis geminin 0.017 0.2042 0.1921
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0088 0.3118
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0088 0.4266
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0035 0.0254 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0412 0.0986
Echinococcus granulosus tumor protein p63 0.0321 0.4044 0.4347
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0035 0.0254 1
Echinococcus multilocularis microtubule associated protein 2 0.0703 0.9106 0.9093
Echinococcus multilocularis tumor protein p63 0.0321 0.4044 0.3953
Schistosoma mansoni cellular tumor antigen P53 0.0047 0.0412 0.0291
Loa Loa (eye worm) hypothetical protein 0.0027 0.0151 0.0343
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0031 0.0205 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0035 0.0254 0.5
Loa Loa (eye worm) tumor suppressor 0.0323 0.4065 1
Schistosoma mansoni microtubule-associated protein tau 0.0703 0.9106 1
Brugia malayi Temporarily assigned gene name protein 44 0.0027 0.0151 0.0159
Trichomonas vaginalis inositol monophosphatase, putative 0.0035 0.0254 0.5
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0088 0.4266
Echinococcus granulosus survival motor neuron protein 1 0.0225 0.2767 0.2921
Schistosoma mansoni hypothetical protein 0.017 0.2042 0.2112

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 3.46 uM Plasmodium falciparum K1 EC50 (uM) as measured by SYBR green dye Saint Jude. 20485428
EC50 (functional) = 4.1 uM Plasmodium falciparum 3D7 EC50 (uM) as measured by SYBR green dye Saint Jude. 20485428
Percent growth inhibition (functional) = 88.4 % Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by YOYO-3 red dye Saint Jude. 20485428
Percent growth inhibition (functional) = 105.9 % Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by SYBR green dye Saint Jude. 20485428

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.

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