Detailed information for compound 1774200

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 261.278 | Formula: C16H11N3O
  • H donors: 2 H acceptors: 2 LogP: 2.53 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1Nc2c(/C/1=C\c1ccc3c(c1)[nH]nc3)cccc2
  • InChi: 1S/C16H11N3O/c20-16-13(12-3-1-2-4-14(12)18-16)7-10-5-6-11-9-17-19-15(11)8-10/h1-9H,(H,17,19)(H,18,20)/b13-7+
  • InChiKey: MPFUDUPAOWHBRQ-NTUHNPAUSA-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 polo-like kinase 4 Starlite/ChEMBL References
Homo sapiens polo-like kinase 2 Starlite/ChEMBL References
Homo sapiens polo-like kinase 3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni serine/threonine 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
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
Echinococcus multilocularis Serine:threonine protein kinase PLK4 Get druggable targets OG5_134726 All targets in OG5_134726
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni kinase Get druggable targets OG5_134726 All targets in OG5_134726
Entamoeba histolytica serine/threonine protein kinase, putative 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
Schistosoma japonicum Serine/threonine-protein kinase PLK4, putative Get druggable targets OG5_134726 All targets in OG5_134726
Trypanosoma cruzi 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
Trypanosoma brucei gambiense polo-like protein kinase,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
Echinococcus granulosus Serine:threonine protein kinase PLK4 Get druggable targets OG5_134726 All targets in OG5_134726
Leishmania braziliensis 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
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, PLK 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
Trichomonas vaginalis CAMK family protein kinase 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
Echinococcus multilocularis serine:threonine protein kinase PLK1 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 congolense 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
Leishmania mexicana 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
Schistosoma japonicum Serine/threonine-protein kinase PLK4, putative Get druggable targets OG5_134726 All targets in OG5_134726
Leishmania infantum protein kinase, putative,polo-like protein kinase, 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
Brugia malayi serine/threonine-protein kinase plk-2 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
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 basement membrane specific heparan sulfate 0.003 0.0693 0.0325
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0021 0.0405 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0286 0.9259 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0286 0.9259 0.5
Loa Loa (eye worm) cytochrome P450 0.0021 0.0405 0.0392
Mycobacterium leprae Conserved hypothetical protein 0.0021 0.0405 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0203 0.648 0.6861
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.0135 0.4221 0.431
Loa Loa (eye worm) hypothetical protein 0.003 0.0693 0.0703
Trypanosoma brucei polo-like protein kinase 0.0286 0.9259 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0203 0.648 0.6984
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0034 0.0815 0.0463
Toxoplasma gondii cytochrome p450 superfamily protein 0.0021 0.0405 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.003 0.0693 0.0325
Echinococcus granulosus roundabout 2 0.0036 0.0911 0.0571
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0032 0.0759 1
Echinococcus granulosus Immunoglobulin 0.003 0.0693 0.0325
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0021 0.0405 0.5
Echinococcus multilocularis neuroglian 0.0033 0.0789 0.0433
Loa Loa (eye worm) hypothetical protein 0.003 0.0693 0.0703
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0021 0.0405 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.0286 0.9259 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0911 0.0941
Loa Loa (eye worm) hypothetical protein 0.003 0.0693 0.0703
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0021 0.0405 0.5
Trypanosoma brucei cytochrome P450, putative 0.0032 0.0759 0.04
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0021 0.0405 0.5
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0021 0.0405 0.5
Brugia malayi Cytochrome P450 family protein 0.0032 0.0759 0.04
Echinococcus multilocularis Immunoglobulin 0.003 0.0693 0.0325
Trypanosoma cruzi cytochrome P450, putative 0.0032 0.0759 0.04
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0286 0.9259 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0815 0.0836
Loa Loa (eye worm) CYP4Cod1 0.0032 0.0759 0.0776
Schistosoma mansoni vesicular amine transporter 0.003 0.0693 0.0693
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.0759 0.0776
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0021 0.0405 0.5
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0021 0.0405 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0021 0.0405 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0693 0.0703
Mycobacterium leprae putative cytochrome p450 0.0021 0.0405 0.5
Brugia malayi Cytochrome P450 family protein 0.0067 0.1946 0.1741
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0021 0.0405 0.5
Echinococcus multilocularis roundabout 2 0.0036 0.0911 0.0571
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0021 0.0405 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.0759 0.0776
Echinococcus multilocularis Immunoglobulin 0.003 0.0693 0.0325
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0286 0.9259 1
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0021 0.0405 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0067 0.1946 0.2064
Echinococcus granulosus neuroglian 0.0033 0.0789 0.0433
Trypanosoma cruzi cytochrome P450, putative 0.0032 0.0759 0.04
Brugia malayi serine/threonine-protein kinase plk-2 0.0286 0.9259 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0286 0.9259 1
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0021 0.0405 0.5
Leishmania major cytochrome p450-like protein 0.0032 0.0759 0.04
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0021 0.0405 0.5
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0021 0.0405 0.5
Brugia malayi hypothetical protein 0.003 0.0693 0.0325
Schistosoma mansoni cell adhesion molecule 0.0034 0.0815 0.0815
Onchocerca volvulus Tyrosine kinase homolog 0.0172 0.5451 0.0468
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0286 0.9259 1
Trichomonas vaginalis CAMK family protein kinase 0.0286 0.9259 1
Trichomonas vaginalis CAMK family protein kinase 0.0286 0.9259 1
Trichomonas vaginalis CAMK family protein kinase 0.0286 0.9259 1
Brugia malayi Fibronectin type III domain containing protein 0.003 0.0693 0.0325
Echinococcus granulosus twitchin 0.0034 0.0826 0.0475
Trichomonas vaginalis CAMK family protein kinase 0.0286 0.9259 1
Schistosoma mansoni Neurotrimin precursor (hNT) 0.003 0.0693 0.0693
Giardia lamblia Kinase, PLK 0.0286 0.9259 0.5
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.003 0.0693 0.0693
Schistosoma mansoni nephrin 0.0033 0.0789 0.0789
Loa Loa (eye worm) hypothetical protein 0.0036 0.0911 0.0941
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0021 0.0405 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0286 0.9259 1
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0021 0.0405 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0693 0.0703
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.0135 0.4221 0.431
Trypanosoma cruzi polo-like protein kinase, putative 0.0286 0.9259 1
Schistosoma mansoni cytochrome P450 0.0021 0.0405 0.0405
Schistosoma mansoni serine/threonine protein kinase 0.0286 0.9259 0.9259
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0021 0.0405 0.5
Brugia malayi Cytochrome P450 family protein 0.0032 0.0759 0.04
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0021 0.0405 0.5
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0021 0.0405 0.5
Onchocerca volvulus Serine\/threonine kinase homolog 0.0286 0.9259 1
Echinococcus granulosus defective proboscis extension response 0.003 0.0693 0.0325
Trichomonas vaginalis CAMK family protein kinase 0.0286 0.9259 1
Schistosoma mansoni hypothetical protein 0.0021 0.0405 0.0405
Loa Loa (eye worm) hypothetical protein 0.003 0.0693 0.0703

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.29 uM Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ELISA assay ChEMBL. 23829549
IC50 (binding) = 5.7 uM Inhibition of PLK2 (unknown origin) by FRET-based homogeneous assay ChEMBL. 23829549
IC50 (binding) > 10 uM Inhibition of PLK3 (unknown origin) by FRET-based homogeneous assay ChEMBL. 23829549
IC50 (binding) = 24 uM Inhibition of PLK1 (unknown origin) by FRET-based homogeneous assay ChEMBL. 23829549
Ki (binding) = 22 nM Competitive inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli in the presence of ATP ChEMBL. 23829549

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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