Detailed information for compound 917050

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 364.421 | Formula: C19H16N4O2S
  • H donors: 2 H acceptors: 5 LogP: 2.15 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cnc(c(c1)O)c1scc(n1)CC(=O)NCCc1ccccc1
  • InChi: 1S/C19H16N4O2S/c20-10-14-8-16(24)18(22-11-14)19-23-15(12-26-19)9-17(25)21-7-6-13-4-2-1-3-5-13/h1-5,8,11-12,24H,6-7,9H2,(H,21,25)
  • InChiKey: JFDMCXCLTIPJIW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens egl-9 family hypoxia-inducible factor 1 Starlite/ChEMBL 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_131326 All targets in OG5_131326
Neospora caninum 2OG-Fe(II) oxygenase family protein, putative Get druggable targets OG5_131326 All targets in OG5_131326
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 cruzi 2OG-Fe(II) oxygenase superfamily, putative 0.0017 0.0013 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.0174 0.0174
Onchocerca volvulus 0.0017 0.0013 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.002 0.0105 0.0112
Echinococcus multilocularis roundabout 2 0.0022 0.0174 0.0213
Trypanosoma cruzi 2OG-Fe(II) oxygenase superfamily, putative 0.0017 0.0013 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0022 0.0174 0.0197
Echinococcus multilocularis prolyl 4 hydroxylase subunit alpha 1 0.0017 0.0013 0.0016
Toxoplasma gondii oxidoreductase, 2OG-Fe(II) oxygenase family protein 0.0017 0.0013 0.5
Toxoplasma gondii oxidoreductase, 2OG-Fe(II) oxygenase family protein 0.0017 0.0013 0.5
Echinococcus granulosus roundabout 2 0.0022 0.0174 0.0213
Loa Loa (eye worm) prolyl 4-hydroxylase 2 0.0017 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.025 0.8086 0.8086
Loa Loa (eye worm) hypothetical protein 0.0017 0.0013 0.0013
Brugia malayi hypothetical protein 0.0022 0.0174 0.0197
Leishmania major hypothetical protein, unknown function 0.0017 0.0013 0.5
Schistosoma mansoni prolyl 4-hydroxylase alpha subunit 1 0.0017 0.0013 0.0767
Echinococcus multilocularis tyrosine protein kinase 0.0253 0.8191 1
Trypanosoma brucei 2OG-Fe(II) oxygenase superfamily, putative 0.0017 0.0013 0.5
Toxoplasma gondii tetratricopeptide repeat-containing protein 0.0017 0.0013 0.5
Echinococcus granulosus prolyl 4 hydroxylase subunit alpha 1 0.0017 0.0013 0.0016
Loa Loa (eye worm) TK protein kinase 0.0253 0.8191 0.8191
Leishmania major hypothetical protein, conserved 0.0017 0.0013 0.5
Brugia malayi Protein kinase domain containing protein 0.0253 0.8191 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0174 0.0174
Schistosoma mansoni cell adhesion molecule 0.0022 0.0174 1
Echinococcus granulosus tyrosine protein kinase 0.0253 0.8191 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0174 0.0174
Schistosoma mansoni nephrin 0.0022 0.0174 1
Brugia malayi Fibronectin type III domain containing protein 0.0022 0.0174 0.0197
Toxoplasma gondii hypoxia- inducible factor prolyl hydroxylase (phd2), putative 0.0017 0.0013 0.5
Loa Loa (eye worm) TK/KIN16 protein kinase 0.002 0.0105 0.0105

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Inhibition of PHD2 in human Hep3B cells assessed as increase in erythropoietin secretion at 50 uM after 24 hrs by ELISA ChEMBL. 24894560
IC50 (binding) = 3.4 uM Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA ChEMBL. 24894560
Inhibition (binding) Inhibition of PHD2 in human Hep3B cells assessed as increase in erythropoietin secretion at 100 uM after 24 hrs by ELISA ChEMBL. 24894560

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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