Detailed information for compound 348500

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 347.433 | Formula: C20H17N3OS
  • H donors: 2 H acceptors: 2 LogP: 4.8 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1sc2c(c1)c([nH]n2)c1ccccc1)NCCc1ccccc1
  • InChi: 1S/C20H17N3OS/c24-19(21-12-11-14-7-3-1-4-8-14)17-13-16-18(22-23-20(16)25-17)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,21,24)(H,22,23)
  • InChiKey: COQMBZDAQWGIGH-UHFFFAOYSA-N  

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 kinase insert domain receptor Starlite/ChEMBL References
Homo sapiens polo-like kinase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Tyrosine kinase homolog Get druggable targets OG5_130320 All targets in OG5_130320
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi Immunoglobulin I-set domain containing protein Get druggable targets OG5_130320 All targets in OG5_130320
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) TK/KIN16 protein kinase Get druggable targets OG5_130320 All targets in OG5_130320
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Get druggable targets OG5_130320 All targets in OG5_130320
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396

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
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.019 0.646 0.6413
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3769 1
Giardia lamblia Kinase, PLK 0.0114 0.3769 0.5
Echinococcus granulosus neuroglian 0.0014 0.0232 0.0103
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.019 0.646 1
Onchocerca volvulus Netrin receptor homolog 0.0193 0.6562 1
Schistosoma mansoni ankyrin 23/unc44 0.019 0.646 0.646
Echinococcus multilocularis roundabout 2 0.0018 0.0361 0.0234
Echinococcus multilocularis tumor necrosis factor receptor superfamily 0.029 1 1
Schistosoma mansoni nephrin 0.0014 0.0232 0.0232
Brugia malayi Immunoglobulin I-set domain containing protein 0.0194 0.659 1
Schistosoma mansoni tumor necrosis factor receptor related 0.029 1 1
Echinococcus multilocularis netrin receptor unc 5 0.0194 0.659 0.6545
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0183 0.6194 0.9579
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.3769 0.5
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.026 0.0131
Echinococcus multilocularis TNFR CD27 30 40 95 cysteine rich region 0.029 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3769 1
Onchocerca volvulus 0.0167 0.563 0.6665
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3769 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3769 1
Loa Loa (eye worm) hypothetical protein 0.019 0.646 1
Loa Loa (eye worm) hypothetical protein 0.019 0.646 1
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0011 0.013 0.013
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0011 0.013 0.013
Echinococcus granulosus tumor necrosis factor receptor superfamily 0.029 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3769 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.3769 0.5749
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.019 0.646 0.6413
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.019 0.646 0.646
Loa Loa (eye worm) hypothetical protein 0.0018 0.0361 0.0365
Echinococcus granulosus Ankyrin 0.019 0.646 0.6413
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.3769 0.5
Schistosoma mansoni kinase 0.0058 0.1784 0.1784
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3769 1
Schistosoma mansoni netrin receptor unc5 0.0194 0.659 0.659
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.3769 0.5
Brugia malayi Uncoordinated protein 44 0.019 0.646 0.9799
Echinococcus granulosus twitchin 0.0014 0.0245 0.0116
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.3769 0.3687
Schistosoma mansoni hypothetical protein 0.019 0.646 0.646
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3769 1
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.3769 0.3769
Loa Loa (eye worm) hypothetical protein 0.0018 0.0361 0.0365
Brugia malayi Protein kinase domain containing protein 0.019 0.6473 0.982
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.3769 0.5
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.3769 0.5633
Schistosoma mansoni vesicular amine transporter 0.0011 0.013 0.013
Echinococcus granulosus roundabout 2 0.0018 0.0361 0.0234
Echinococcus multilocularis neuroglian 0.0014 0.0232 0.0103
Trypanosoma brucei polo-like protein kinase 0.0114 0.3769 0.5
Echinococcus granulosus death domain containing protein 0.019 0.646 0.6413
Onchocerca volvulus Tyrosine kinase homolog 0.0171 0.5768 0.7158
Brugia malayi Death domain containing protein 0.019 0.646 0.9799
Schistosoma mansoni cell adhesion molecule 0.0015 0.026 0.026
Echinococcus multilocularis Ankyrin 0.019 0.646 0.6413
Loa Loa (eye worm) hypothetical protein 0.0015 0.026 0.0205
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.3769 0.3687
Echinococcus granulosus netrin receptor unc 5 0.0194 0.659 0.6545
Brugia malayi Immunoglobulin I-set domain containing protein 0.0183 0.6194 0.9387

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2 uM Inhibitory activity against KDR ChEMBL. 16216502
IC50 (binding) = 2 uM Inhibitory activity against KDR ChEMBL. 16216502
IC50 (binding) = 17 uM Inhibitory activity against Plk1 ChEMBL. 16216502
IC50 (binding) = 17 uM Inhibitory activity against Plk1 ChEMBL. 16216502
IC50 (binding) > 20 uM Inhibitory activity against Pak4 ChEMBL. 16216502
IC50 (binding) > 20 uM Inhibitory activity against CK2 ChEMBL. 16216502
IC50 (binding) > 20 uM Inhibitory activity against Akt1 ChEMBL. 16216502
IC50 (binding) > 20 uM Inhibitory activity against CDK2/Cyclin A ChEMBL. 16216502
IC50 (binding) > 20 uM Inhibitory activity against p38alpha ChEMBL. 16216502
IC50 (binding) > 20 uM Inhibitory activity against MK2 ChEMBL. 16216502
IC50 (binding) > 20 uM Inhibitory activity against COT ChEMBL. 16216502
IC50 (binding) > 20 uM Inhibitory activity against Pak4 ChEMBL. 16216502
IC50 (binding) > 20 uM Inhibitory activity against CK2 ChEMBL. 16216502
IC50 (binding) > 20 uM Inhibitory activity against Akt1 ChEMBL. 16216502
IC50 (binding) > 20 uM Inhibitory activity against CDK2/Cyclin A ChEMBL. 16216502
IC50 (binding) > 20 uM Inhibitory activity against p38alpha ChEMBL. 16216502
IC50 (binding) > 20 uM Inhibitory activity against MK2 ChEMBL. 16216502
IC50 (binding) > 20 uM Inhibitory activity against COT ChEMBL. 16216502

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.

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