Detailed information for compound 23251

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 350.449 | Formula: C20H30O5
  • H donors: 2 H acceptors: 5 LogP: 4.97 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC1(CCC)C(=C(C(=O)C(C)C)C(=C(C1=O)C(=O)C(C)C)O)O
  • InChi: 1S/C20H30O5/c1-7-9-20(10-8-2)18(24)13(15(21)11(3)4)17(23)14(19(20)25)16(22)12(5)6/h11-12,23-24H,7-10H2,1-6H3
  • InChiKey: OILWAPJBDWQZEZ-UHFFFAOYSA-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
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.0291 1 1
Loa Loa (eye worm) glutaminase 2 0.0273 0.9271 0.9873
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.0163 0.4961 0.4961
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0078 0.1582 0.0092
Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase, putative 0.0191 0.6036 0.5008
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0291 1 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0291 1 1
Brugia malayi glutaminase DH11.1 0.0273 0.9271 0.9082
Brugia malayi Peroxidasin 0.0275 0.9377 0.9216
Loa Loa (eye worm) animal heme peroxidase 0.0275 0.9377 1
Schistosoma mansoni peroxidasin 0.0275 0.9377 0.9267
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0291 1 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0291 1 1
Brugia malayi Animal haem peroxidase family protein 0.0275 0.9377 0.9216
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0291 1 1
Loa Loa (eye worm) hypothetical protein 0.0275 0.9377 1
Loa Loa (eye worm) hypothetical protein 0.0275 0.9377 1
Brugia malayi Animal haem peroxidase family protein 0.0275 0.9377 0.9216
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0291 1 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0191 0.6042 0.4737
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.0291 1 0.5
Onchocerca volvulus Chorion peroxidase homolog 0.0275 0.9377 0.5
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0291 1 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0291 1 1
Brugia malayi WGR domain containing protein 0.0163 0.4961 0.3654
Loa Loa (eye worm) hypothetical protein 0.0275 0.9377 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0291 1 1
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0191 0.6042 0.6042
Loa Loa (eye worm) hypothetical protein 0.0275 0.9377 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0191 0.6042 0.5824
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0191 0.6042 0.599
Onchocerca volvulus Dual oxidase homolog 0.0275 0.9377 0.5
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.0291 1 1
Loa Loa (eye worm) hypothetical protein 0.009 0.206 0.1202
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0191 0.6042 0.4737
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.0291 1 0.5
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0291 1 1
Loa Loa (eye worm) glutaminase 0.0273 0.9271 0.9873
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.0291 1 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0275 0.9377 1
Loa Loa (eye worm) animal heme peroxidase 0.0275 0.9377 1
Echinococcus multilocularis peroxidasin 0.0275 0.9377 0.9377
Loa Loa (eye worm) hypothetical protein 0.0275 0.9377 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.3423 0.2842
Brugia malayi Animal haem peroxidase family protein 0.0275 0.9377 0.9216
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0163 0.4961 0.4069
Echinococcus granulosus poly ADP ribose polymerase 1 0.0163 0.4961 0.4683
Loa Loa (eye worm) hypothetical protein 0.0275 0.9377 1
Loa Loa (eye worm) hypothetical protein 0.0275 0.9377 1
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.009 0.206 0.206
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0291 1 1
Loa Loa (eye worm) hypothetical protein 0.0275 0.9377 1
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0191 0.6036 0.5008
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0291 1 1
Brugia malayi Animal haem peroxidase family protein 0.0275 0.9377 0.9216
Onchocerca volvulus Peroxidase homolog 0.0275 0.9377 0.5
Brugia malayi Blistered cuticle protein 3 0.0275 0.9377 0.9216
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0291 1 1
Onchocerca volvulus Peroxidasin homolog 0.0275 0.9377 0.5
Schistosoma mansoni peroxidasin 0.0275 0.9377 0.9267
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0291 1 1
Loa Loa (eye worm) hypothetical protein 0.0275 0.9377 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0291 1 1
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.0291 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0275 0.9377 1
Onchocerca volvulus Peroxidasin homolog 0.0275 0.9377 0.5
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0291 1 1
Schistosoma mansoni glutaminase 0.0273 0.9271 0.9142
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.0291 1 1
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.0291 1 1
Echinococcus granulosus peroxidasin 0.0275 0.9377 0.9343
Mycobacterium tuberculosis Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0101 0.2487 0.5
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0291 1 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0291 1 1
Brugia malayi Animal haem peroxidase family protein 0.0275 0.9377 0.9216
Loa Loa (eye worm) hypothetical protein 0.0191 0.6042 0.599
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0291 1 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.009 0.2078 0.0023
Loa Loa (eye worm) hypothetical protein 0.0275 0.9377 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.009 0.2078 0.0023
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0201 0.6444 0.6474
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0201 0.6444 0.6474
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.0291 1 1
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0291 1 1
Loa Loa (eye worm) hypothetical protein 0.0275 0.9377 1
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0191 0.6042 0.599
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0291 1 1
Loa Loa (eye worm) hypothetical protein 0.0275 0.9377 1
Onchocerca volvulus 0.0275 0.9377 0.5
Loa Loa (eye worm) hypothetical protein 0.0275 0.9377 1
Onchocerca volvulus 0.0275 0.9377 0.5
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0291 1 1
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0076 0.1504 0.1504
Mycobacterium leprae Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0101 0.2487 0.5
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.0291 1 0.5
Brugia malayi glyceraldehyde 3-phosphate dehydrogenase 0.009 0.2078 0.0023
Brugia malayi hypothetical protein 0.0275 0.9377 0.9216
Onchocerca volvulus Peroxidase homolog 0.0275 0.9377 0.5
Echinococcus granulosus poly adp ribose polymerase 2 0.009 0.206 0.1622
Schistosoma mansoni poly [ADP-ribose] polymerase 0.009 0.206 0.0654
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.01 0.248 0.053
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0291 1 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0291 1 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0291 1 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.009 0.2078 0.0023
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0291 1 1
Onchocerca volvulus 0.0275 0.9377 0.5
Echinococcus granulosus glutamate NMDA receptor subunit 0.0076 0.1504 0.1036
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0191 0.6036 0.5008
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.009 0.2078 0.0023
Loa Loa (eye worm) animal heme peroxidase 0.0275 0.9377 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0291 1 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.009 0.2078 0.0023
Trichomonas vaginalis glutaminase, putative 0.0273 0.9271 0.9031
Loa Loa (eye worm) blistered cuticle protein 3 0.0275 0.9377 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 5.9 M Inhibitory concentration of the Compound was tested against LTD4 induced contraction of guinea pig trachea . ChEMBL. 1560434
IC50 (functional) = 6.9 M Inhibitory activity of the Compound was tested against U-46619 induced contraction of guinea pig trachea . ChEMBL. 1560434
Inhibition (functional) = 25.3 % Inhibitory activity of the Compound was tested against U-46619 induced contraction of guinea pig trachea at 3*10e-6 M concentration. ChEMBL. 1560434
Inhibition (functional) = 28.5 % Inhibitory activity of the Compound was tested against LTD4 induced contraction of guinea pig trachea at 3*10e-6 M concentration. ChEMBL. 1560434
Inhibition (functional) = 81.7 % Inhibitory activity of the Compound was tested against U-46619 induced contraction of guinea pig trachea at 2*10e-5 M concentration. ChEMBL. 1560434
Inhibition (functional) = 88.5000000000002 % Inhibitory activity of the Compound was tested against LTD4 induced contraction of guinea pig trachea at 2*10e-5 M concentration. ChEMBL. 1560434

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

1 literature reference was collected for this gene.

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