Detailed information for compound 372891

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 386.834 | Formula: C22H15ClN4O
  • H donors: 1 H acceptors: 3 LogP: 4.03 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)Cn1cc(c2c1cccc2)C(=O)c1nc2c(n1)cc[nH]c2
  • InChi: 1S/C22H15ClN4O/c23-15-7-5-14(6-8-15)12-27-13-17(16-3-1-2-4-20(16)27)21(28)22-25-18-9-10-24-11-19(18)26-22/h1-11,13,24H,12H2
  • InChiKey: RVUKZZMKNGMLAM-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0126 0.3603 1
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.033 1 1
Schistosoma mansoni hypothetical protein 0.0072 0.1901 0.1901
Giardia lamblia Kinase, CMGC CLK 0.0126 0.3603 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.3517 0.3517
Echinococcus multilocularis casein kinase I gamma 0.0044 0.1006 0.1006
Echinococcus granulosus protein tyrosine kinase 0.0166 0.4847 0.4847
Schistosoma mansoni serine/threonine protein kinase 0.0044 0.1006 0.1006
Trichomonas vaginalis CMGC family protein kinase 0.0126 0.3603 0.5
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.033 1 1
Echinococcus granulosus hypothetical protein 0.0124 0.3517 0.3517
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0126 0.3603 1
Echinococcus granulosus expressed protein 0.0035 0.0744 0.0744
Schistosoma mansoni serine/threonine protein kinase 0.0126 0.3603 0.3603
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0126 0.3603 1
Echinococcus multilocularis dual specificity protein kinase clk2 0.0126 0.3603 0.3603
Schistosoma mansoni thyroid hormone receptor 0.0084 0.2265 0.2265
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0072 0.1901 0.1901
Plasmodium vivax serine/threonine kinase-1, putative 0.0126 0.3603 1
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.0744 0.0744
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0126 0.3603 1
Schistosoma mansoni serine/threonine protein kinase 0.033 1 1
Echinococcus multilocularis 0.0124 0.3517 0.3517
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.033 1 1
Loa Loa (eye worm) CAMK/PIM protein kinase 0.033 1 1
Brugia malayi Serine/threonine-protein kinase Pim-3 0.033 1 1
Echinococcus multilocularis expressed protein 0.0035 0.0744 0.0744
Loa Loa (eye worm) TK/FAK protein kinase 0.0168 0.4908 0.4908
Brugia malayi Protein kinase domain containing protein 0.0168 0.4908 0.4908
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0143 0.4118 0.4118
Brugia malayi Protein kinase domain containing protein 0.0044 0.1006 0.1006
Brugia malayi Nuclear hormone receptor-like 1 0.0148 0.429 0.429
Leishmania major protein kinase, putative 0.0126 0.3603 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0084 0.2265 0.2265
Entamoeba histolytica protein kinase, putative 0.0035 0.0744 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0143 0.4118 0.4118
Loa Loa (eye worm) CAMK/PIM protein kinase 0.033 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0126 0.3603 0.3603
Loa Loa (eye worm) hypothetical protein 0.0142 0.4098 0.4098
Loa Loa (eye worm) casein kinase 0.0041 0.0921 0.0921
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0126 0.3603 1
Loa Loa (eye worm) CMGC/SRPK protein kinase 0.0035 0.0744 0.0744
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0126 0.3603 1
Brugia malayi Nuclear hormone receptor-like 1 0.0143 0.4118 0.4118
Schistosoma mansoni tyrosine kinase 0.0166 0.4847 0.4847
Brugia malayi Protein kinase domain containing protein 0.0126 0.3603 0.3603
Plasmodium falciparum protein serine/threonine kinase-1 0.0126 0.3603 1
Echinococcus granulosus casein kinase I gamma 0.0044 0.1006 0.1006
Brugia malayi Protein kinase domain containing protein 0.0035 0.0744 0.0744
Schistosoma mansoni thyroid hormone receptor 0.0084 0.2265 0.2265
Echinococcus granulosus dual specificity protein kinase clk2 0.0126 0.3603 0.3603
Loa Loa (eye worm) protein kinase domain-containing protein 0.0044 0.1006 0.1006
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0126 0.3603 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0072 0.1901 0.1901
Leishmania major protein kinase, putative 0.0126 0.3603 1
Echinococcus multilocularis protein tyrosine kinase 0.0166 0.4847 0.4847
Entamoeba histolytica protein kinase, putative 0.0035 0.0744 0.5
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0126 0.3603 0.3603

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.01 uM Cytotoxicity against human MES-SA cell line by MTS assay ChEMBL. 16870446
IC50 (functional) = 0.01 uM Cytotoxicity against human MES-SA cell line by MTS assay ChEMBL. 16870446
IC50 (functional) = 0.05 uM Cytotoxicity against human MDA435 cell line by MTS assay ChEMBL. 16870446
IC50 (functional) = 0.05 uM Cytotoxicity against human HL60/TX1000 cell line by MTS assay ChEMBL. 16870446
IC50 (functional) = 0.05 uM Cytotoxicity against human HL60 cell line by MTS assay ChEMBL. 16870446
IC50 (functional) = 0.05 uM Cytotoxicity against murine P388 cell line by MTS assay ChEMBL. 16870446
IC50 (functional) = 0.05 uM Cytotoxicity against human DU145 cell line by MTS assay ChEMBL. 16870446
IC50 (functional) = 0.05 uM Cytotoxicity against human MES-SA/DX5 cell line by MTS assay ChEMBL. 16870446
IC50 (functional) = 0.05 uM Cytotoxicity against human MDA435 cell line by MTS assay ChEMBL. 16870446
IC50 (functional) = 0.05 uM Cytotoxicity against human HL60/TX1000 cell line by MTS assay ChEMBL. 16870446
IC50 (functional) = 0.05 uM Cytotoxicity against human HL60 cell line by MTS assay ChEMBL. 16870446
IC50 (functional) = 0.05 uM Cytotoxicity against murine P388 cell line by MTS assay ChEMBL. 16870446
IC50 (functional) = 0.05 uM Cytotoxicity against human DU145 cell line by MTS assay ChEMBL. 16870446
IC50 (functional) = 0.05 uM Cytotoxicity against human MES-SA/DX5 cell line by MTS assay ChEMBL. 16870446

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 16870446
Homo sapiens ChEMBL23 16870446

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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