Detailed information for compound 1283318

Basic information

Technical information
  • TDR Targets ID: 1283318
  • Name: STK087752
  • MW: 271.271 | Formula: C14H13N3O3
  • H donors: 1 H acceptors: 4 LogP: 1.39 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1ccc(cc1)[N+](=O)[O-])NCc1cccnc1
  • InChi: 1S/C14H13N3O3/c18-14(16-10-12-2-1-7-15-9-12)8-11-3-5-13(6-4-11)17(19)20/h1-7,9H,8,10H2,(H,16,18)
  • InChiKey: SQQPWRJXYOOSBI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • Oprea1_685828
  • MLS001181156
  • SMR000502206
  • ZINC02621563

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
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
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.4841 0.846
Onchocerca volvulus 0.0016 0.011 0.0119
Brugia malayi Fibronectin type III domain containing protein 0.0021 0.0267 0.0267
Echinococcus granulosus FK506 binding protein 2 0.0016 0.011 0.0193
Loa Loa (eye worm) hypothetical protein 0.0034 0.0638 0.0638
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0016 0.011 0.5
Leishmania major peptidylprolyl isomerase-like protein 0.0118 0.3128 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0021 0.0267 0.0267
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0118 0.3128 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0267 0.0267
Loa Loa (eye worm) acetyltransferase 0.0175 0.4841 0.4841
Schistosoma mansoni hypothetical protein 0.0205 0.5722 1
Echinococcus granulosus neuroglian 0.0027 0.043 0.0752
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 0.0016 0.011 0.011
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0118 0.3128 0.3128
Echinococcus granulosus muscleblind protein 0.018 0.5 0.8739
Loa Loa (eye worm) FKBP5 protein 0.0118 0.3128 0.3128
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0118 0.3128 0.5466
Loa Loa (eye worm) hypothetical protein 0.0101 0.2646 0.2646
Echinococcus multilocularis fk506 binding protein 0.0118 0.3128 0.5466
Loa Loa (eye worm) hypothetical protein 0.0021 0.0267 0.0267
Echinococcus multilocularis neuroglian 0.0027 0.043 0.0752
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0021 0.0267 0.0467
Echinococcus granulosus geminin 0.0205 0.5722 1
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0118 0.3128 1
Schistosoma mansoni immunophilin 0.0101 0.2646 0.4625
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0118 0.3128 1
Onchocerca volvulus Tyrosine kinase homolog 0.0325 0.9317 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.1162 1
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.4841 0.4841
Loa Loa (eye worm) hypothetical protein 0.018 0.5 0.5
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.4841 0.846
Echinococcus multilocularis Immunoglobulin 0.0021 0.0267 0.0467
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0118 0.3128 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.011 0.011
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0118 0.3128 0.3128
Echinococcus granulosus roundabout 2 0.0034 0.0638 0.1115
Onchocerca volvulus 0.0318 0.9096 0.9763
Loa Loa (eye worm) hypothetical protein 0.018 0.5 0.5
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0028 0.0475 0.0831
Schistosoma mansoni nephrin 0.0027 0.043 0.0752
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.1162 0.3484
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0118 0.3128 0.5466
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.1162 0.3484
Schistosoma mansoni cell adhesion molecule 0.0028 0.0475 0.0831
Schistosoma mansoni hypothetical protein 0.0016 0.011 0.0193
Echinococcus granulosus FK506 binding protein 8 38 kDa 0.0016 0.011 0.0193
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0021 0.0267 0.0467
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0118 0.3128 0.5466
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0118 0.3128 0.5466
Brugia malayi Muscleblind-like protein 0.018 0.5 0.5
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0118 0.3128 1
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0118 0.3128 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.4694 0.8204
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0118 0.3128 1
Schistosoma mansoni hypothetical protein 0.0205 0.5722 1
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0016 0.011 0.5
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0118 0.3128 0.3128
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0118 0.3128 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.1162 0.3484
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0101 0.2646 0.4625
Echinococcus multilocularis Immunoglobulin 0.0021 0.0267 0.0467
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.1034 0.3061
Loa Loa (eye worm) hypothetical protein 0.0021 0.0267 0.0267
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0118 0.3128 1
Echinococcus multilocularis muscleblind protein 0.018 0.5 0.8739
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33 0.0016 0.011 0.011
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13 0.0016 0.011 0.011
Trichomonas vaginalis fk506-binding protein, putative 0.0118 0.3128 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.1034 0.3061
Echinococcus granulosus twitchin 0.0027 0.043 0.0752
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.1162 0.203
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0016 0.011 0.5
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30 0.0016 0.011 0.011
Echinococcus multilocularis roundabout 2 0.0034 0.0638 0.1115
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0118 0.3128 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0118 0.3128 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0267 0.0267
Echinococcus granulosus Immunoglobulin 0.0021 0.0267 0.0467
Onchocerca volvulus 0.0016 0.011 0.0119
Brugia malayi hypothetical protein 0.0021 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.0028 0.0475 0.0475
Loa Loa (eye worm) hypothetical protein 0.0034 0.0638 0.0638
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0118 0.3128 1
Echinococcus multilocularis geminin 0.0205 0.5722 1
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0118 0.3128 1
Echinococcus multilocularis muscleblind protein 1 0.018 0.5 0.8739
Loa Loa (eye worm) hypothetical protein 0.0021 0.0267 0.0267
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0118 0.3128 1
Echinococcus multilocularis 0.0016 0.011 0.0193
Schistosoma mansoni fk506 binding protein 0.0016 0.011 0.0193
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0118 0.3128 1
Leishmania major fk506-binding protein 1-like protein 0.0118 0.3128 1
Schistosoma mansoni immunophilin 0.0118 0.3128 0.5466
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0016 0.011 0.011
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0021 0.0267 0.0467
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0101 0.2646 0.4625
Loa Loa (eye worm) STAT protein 0.0153 0.4185 0.4185
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.1162 1
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0118 0.3128 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0348 1 1
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0016 0.011 0.5
Echinococcus granulosus defective proboscis extension response 0.0021 0.0267 0.0467
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.0016 0.011 0.0193
Brugia malayi STAT protein, DNA binding domain containing protein 0.0153 0.4185 0.4185
Schistosoma mansoni vesicular amine transporter 0.0021 0.0267 0.0467
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0016 0.011 0.5
Schistosoma mansoni immunophilin 0.0118 0.3128 0.5466
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-33 0.0016 0.011 0.011
Trichomonas vaginalis immunophilin, putative 0.0118 0.3128 1
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.1034 0.3061
Loa Loa (eye worm) hypothetical protein 0.0021 0.0267 0.0267
Schistosoma mansoni tyrosine kinase 0.0014 0.0058 0.0101

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0738 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (binding) 12.5893 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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
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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