Detailed information for compound 1529777

Basic information

Technical information
  • TDR Targets ID: 1529777
  • Name: T5570246
  • MW: 566.667 | Formula: C26H38N4O8S
  • H donors: 3 H acceptors: 6 LogP: -0.8 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)C(=O)O.COCCNCc1cc(n(c1C)c1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1)C
  • InChi: 1S/C24H36N4O4S.C2H2O4/c1-19-16-21(18-25-8-13-31-3)20(2)28(19)24-17-22(6-7-23(24)26-9-4-5-10-26)33(29,30)27-11-14-32-15-12-27;3-1(4)2(5)6/h6-7,16-17,25H,4-5,8-15,18H2,1-3H3;(H,3,4)(H,5,6)
  • InChiKey: NVEDAOFGTPAUAE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 32 0.0104 0.8804 0.8804
Echinococcus granulosus titin 0.0104 0.8804 0.8611
Onchocerca volvulus 0.0104 0.8804 1
Brugia malayi Fibronectin type III domain containing protein 0.0104 0.8804 0.8804
Schistosoma mansoni cell adhesion molecule 0.0104 0.8804 1
Echinococcus granulosus fibronectin type III domain-containing protein 0.0104 0.8804 0.8611
Schistosoma mansoni titin 0.0104 0.8804 1
Brugia malayi protein unc-22 0.0104 0.8804 0.8804
Brugia malayi Immunoglobulin I-set domain containing protein 0.0104 0.8804 0.8804
Onchocerca volvulus 0.0104 0.8804 1
Trypanosoma cruzi Fibronectin type III domain containing protein, putative 0.0104 0.8804 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0104 0.8804 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 1 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0104 0.8804 0.8611
Echinococcus granulosus Netrin receptor DCC 0.0104 0.8804 0.8611
Echinococcus granulosus Phosphotidylinositol phosphatase PTPRQ 0.0104 0.8804 0.8611
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0104 0.8804 0.8611
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.218 0.2476
Loa Loa (eye worm) CAMK protein kinase 0.0104 0.8804 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.2023 0.2298
Echinococcus multilocularis Phosphotidylinositol phosphatase PTPRQ 0.0104 0.8804 0.8611
Brugia malayi Immunoglobulin I-set domain containing protein 0.0104 0.8804 0.8804
Loa Loa (eye worm) hypothetical protein 0.003 0.087 0.0989
Onchocerca volvulus 0.0104 0.8804 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0104 0.8804 0.8804
Loa Loa (eye worm) hypothetical protein 0.0104 0.8804 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0104 0.8804 1
Brugia malayi myotactin form A 0.0104 0.8804 0.8804
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0104 0.8804 1
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0104 0.8804 1
Echinococcus multilocularis transfer RNA-Phe 0.0104 0.8804 0.8611
Loa Loa (eye worm) UNCoordinated family member 0.0104 0.8804 1
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.218 0.0925
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0104 0.8804 0.8611
Echinococcus multilocularis Netrin receptor DCC 0.0104 0.8804 0.8611
Loa Loa (eye worm) projectin 0.0104 0.8804 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0104 0.8804 0.8611
Schistosoma mansoni protein tyrosine phosphatase 0.0104 0.8804 1
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0104 0.8804 1
Brugia malayi Fibronectin type III domain containing protein 0.0104 0.8804 0.8804
Echinococcus granulosus neuroglian 0.0104 0.8804 0.8611
Plasmodium vivax hypothetical protein, conserved 0.0035 0.1383 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0104 0.8804 1
Echinococcus multilocularis roundabout 2 0.0104 0.8804 0.8611
Loa Loa (eye worm) hypothetical protein 0.0104 0.8804 1
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0104 0.8804 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0104 0.8804 0.8804
Brugia malayi Bromodomain containing protein 0.0035 0.1383 0.1383
Schistosoma mansoni myosin-binding protein-related 0.0104 0.8804 1
Echinococcus multilocularis anosmin 1 0.0104 0.8804 0.8611
Brugia malayi Immunoglobulin I-set domain containing protein 0.0104 0.8804 0.8804
Brugia malayi Lethal protein 805 0.0104 0.8804 0.8804
Brugia malayi Immunoglobulin I-set domain containing protein 0.0104 0.8804 0.8804
Echinococcus multilocularis roundabout 2 0.0104 0.8804 0.8611
Loa Loa (eye worm) hypothetical protein 0.006 0.4072 0.4625
Onchocerca volvulus 0.0104 0.8804 1
Loa Loa (eye worm) myotactin form A 0.0104 0.8804 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.8804 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0104 0.8804 1
Echinococcus granulosus usherin 0.0104 0.8804 0.8611
Brugia malayi hypothetical protein 0.0104 0.8804 0.8804
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0104 0.8804 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0104 0.8804 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.218 0.0925
Echinococcus granulosus anosmin 1 0.0104 0.8804 0.8611
Loa Loa (eye worm) hypothetical protein 0.0104 0.8804 1
Echinococcus granulosus Fibronectin type III domain containing protein 0.0104 0.8804 0.8611
Echinococcus multilocularis Fibronectin type III domain containing protein 0.0104 0.8804 0.8611
Onchocerca volvulus 0.0104 0.8804 1
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0104 0.8804 1
Echinococcus granulosus jumonji domain containing protein 0.0049 0.2866 0.1721
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.2866 0.1721
Schistosoma mansoni hemicentin 0.0104 0.8804 1
Echinococcus multilocularis cell adhesion molecule 0.0104 0.8804 0.8611
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0104 0.8804 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0104 0.8804 0.8804
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0104 0.8804 0.8611
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0104 0.8804 0.8611
Schistosoma mansoni hypothetical protein 0.0104 0.8804 1
Schistosoma mansoni cell adhesion molecule 0.0104 0.8804 1
Trypanosoma brucei Fibronectin type III domain containing protein, putative 0.0104 0.8804 1
Loa Loa (eye worm) hypothetical protein 0.006 0.4089 0.4645
Loa Loa (eye worm) hypothetical protein 0.0104 0.8804 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0104 0.8804 0.8804
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.4072 0.4625
Brugia malayi Fibronectin type III domain containing protein 0.0104 0.8804 0.8804
Brugia malayi SPRY domain containing protein 0.0104 0.8804 0.8804
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0104 0.8804 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.8804 1
Plasmodium falciparum phd finger protein, putative 0.0035 0.1383 1
Leishmania major hypothetical protein, conserved 0.0104 0.8804 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.5416 0.6152
Schistosoma mansoni serine/threonine protein kinase 0.0104 0.8804 1
Onchocerca volvulus 0.0104 0.8804 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.8804 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 30. 0.0104 0.8804 0.8804
Onchocerca volvulus 0.0104 0.8804 1
Echinococcus multilocularis neuroglian 0.0104 0.8804 0.8611
Schistosoma mansoni hypothetical protein 0.0041 0.2023 0.0862
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.1383 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.8804 1
Echinococcus multilocularis anosmin 1 0.0104 0.8804 0.8611
Brugia malayi hypothetical protein 0.0104 0.8804 0.8804
Brugia malayi hypothetical protein 0.003 0.087 0.087
Loa Loa (eye worm) hypothetical protein 0.0104 0.8804 1
Schistosoma mansoni factor for adipocyte differentiation 0.0104 0.8804 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0104 0.8804 1
Echinococcus multilocularis anosmin 1 0.0104 0.8804 0.8611
Schistosoma mansoni titin 0.0104 0.8804 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0104 0.8804 0.8804
Brugia malayi protein-tyrosine phosphatase Lar-like precursor, putative 0.0104 0.8804 0.8804
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.4072 0.4072
Loa Loa (eye worm) hypothetical protein 0.0104 0.8804 1
Echinococcus granulosus Fibronectin type III 0.0104 0.8804 0.8611
Echinococcus multilocularis roundabout 2 0.0104 0.8804 0.8611
Echinococcus granulosus roundabout 2 0.0104 0.8804 0.8611
Schistosoma mansoni tripartite motif protein trim9 0.0104 0.8804 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.8804 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.8804 1
Schistosoma mansoni hypothetical protein 0.0104 0.8804 1
Echinococcus granulosus Netrin receptor DCC 0.0104 0.8804 0.8611
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0104 0.8804 0.8611
Brugia malayi Lethal protein 805 0.0104 0.8804 0.8804
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0104 0.8804 0.8611
Schistosoma mansoni cell adhesion molecule 0.0104 0.8804 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.8804 1
Schistosoma mansoni cell adhesion molecule 0.0104 0.8804 1
Schistosoma mansoni titin 0.0104 0.8804 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0104 0.8804 0.8611
Loa Loa (eye worm) hypothetical protein 0.0104 0.8804 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.1383 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.218 0.1074
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.2023 0.2023
Onchocerca volvulus 0.0104 0.8804 1
Trypanosoma cruzi hypothetical protein, conserved 0.0104 0.8804 1
Onchocerca volvulus 0.0104 0.8804 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.8804 1
Schistosoma mansoni ephrin receptor 0.0104 0.8804 1
Echinococcus multilocularis titin 0.0104 0.8804 0.8611
Brugia malayi Fibronectin type III domain containing protein 0.0104 0.8804 0.8804
Loa Loa (eye worm) hypothetical protein 0.0104 0.8804 1
Onchocerca volvulus 0.0104 0.8804 1
Onchocerca volvulus 0.0104 0.8804 1
Brugia malayi jmjC domain containing protein 0.0043 0.218 0.218
Echinococcus multilocularis Netrin receptor DCC 0.0104 0.8804 0.8611
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0104 0.8804 0.8611
Echinococcus granulosus roundabout 2 0.0104 0.8804 0.8611
Loa Loa (eye worm) hypothetical protein 0.0104 0.8804 1
Brugia malayi Protein-tyrosine phosphatase 0.0104 0.8804 0.8804
Schistosoma mansoni factor for adipocyte differentiation 0.0104 0.8804 1
Onchocerca volvulus 0.0104 0.8804 1
Echinococcus multilocularis titin 0.0104 0.8804 0.8611
Echinococcus multilocularis usherin 0.0104 0.8804 0.8611
Echinococcus granulosus EG95 0.0104 0.8804 0.8611
Trypanosoma cruzi Fibronectin type III domain containing protein, putative 0.0104 0.8804 1
Echinococcus granulosus Phosphotidylinositol phosphatase PTPRQ 0.0104 0.8804 0.8611
Echinococcus granulosus anosmin 1 0.0104 0.8804 0.8611
Brugia malayi Fibronectin type III domain containing protein 0.0104 0.8804 0.8804
Loa Loa (eye worm) hypothetical protein 0.0104 0.8804 1
Schistosoma mansoni nephrin 0.0104 0.8804 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.4072 0.4072
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 1 1
Echinococcus granulosus roundabout 2 0.0104 0.8804 0.8611
Schistosoma mansoni nephrin 0.0104 0.8804 1
Echinococcus multilocularis Fibronectin, type III 0.0104 0.8804 0.8611
Echinococcus granulosus anosmin 1 0.0104 0.8804 0.8611
Echinococcus multilocularis fibronectin type III domain-containing protein 0.0104 0.8804 0.8611
Echinococcus granulosus G1Y162 protein 0.0104 0.8804 0.8611
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0104 0.8804 0.8611
Schistosoma mansoni hypothetical protein 0.0104 0.8804 1
Schistosoma mansoni factor for adipocyte differentiation 0.0104 0.8804 1
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0104 0.8804 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0104 0.8804 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.8804 1
Echinococcus granulosus cell adhesion molecule 0.0104 0.8804 0.8611
Brugia malayi Fibronectin type III domain containing protein 0.0104 0.8804 0.8804
Loa Loa (eye worm) hypothetical protein 0.0035 0.1383 0.1571
Schistosoma mansoni cell adhesion molecule 0.0104 0.8804 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0104 0.8804 0.8804
Schistosoma mansoni jumonji domain containing protein 0.0092 0.7451 0.8177
Loa Loa (eye worm) hypothetical protein 0.0104 0.8804 1
Brugia malayi myotactin form B 0.0104 0.8804 0.8804
Schistosoma mansoni neuroglian 0.0104 0.8804 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0104 0.8804 0.8804
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0104 0.8804 0.8611
Brugia malayi Immunoglobulin I-set domain containing protein 0.0104 0.8804 0.8804
Echinococcus granulosus titin 0.0104 0.8804 0.8611
Loa Loa (eye worm) hypothetical protein 0.0104 0.8804 1
Onchocerca volvulus 0.0104 0.8804 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.218 0.1074
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0104 0.8804 0.8611
Echinococcus granulosus nephrin 0.0104 0.8804 0.8611
Brugia malayi PHD-finger family protein 0.0035 0.1383 0.1383
Loa Loa (eye worm) lethal protein 805 0.0104 0.8804 1
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.1383 0.1571
Onchocerca volvulus 0.0104 0.8804 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0104 0.8804 0.8611
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0104 0.8804 0.8611
Giardia lamblia PHD finger protein 15 0.0035 0.1383 0.5
Echinococcus granulosus contactin 0.0104 0.8804 0.8611

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3162 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference

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.