Detailed information for compound 815967

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 492.011 | Formula: C22H22ClN3O4S2
  • H donors: 1 H acceptors: 4 LogP: 3.21 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1c2CCN(Cc2sc1S(=O)(=O)NCc1ccc(cc1)Cl)Cc1cccnc1
  • InChi: 1S/C22H22ClN3O4S2/c1-30-21(27)20-18-8-10-26(13-16-3-2-9-24-11-16)14-19(18)31-22(20)32(28,29)25-12-15-4-6-17(23)7-5-15/h2-7,9,11,25H,8,10,12-14H2,1H3
  • InChiKey: SLUQHJVPSQDLOI-UHFFFAOYSA-N  


Substructure search Similarity search

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
Echinococcus granulosus carbonic anhydrase II 0.0086 0.0946 0.1082
Trichomonas vaginalis CMGC family protein kinase 0.0065 0.0632 0.3774
Echinococcus multilocularis 0.0061 0.0576 0.0577
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0086 0.0946 0.1792
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0065 0.0632 0.2097
Echinococcus granulosus cyclin dependent kinase 0.0135 0.1676 0.2075
Echinococcus multilocularis cyclin dependent kinase 1 0.0135 0.1676 0.2075
Toxoplasma gondii hypothetical protein 0.0086 0.0946 0.3011
Schistosoma mansoni hypothetical protein 0.0086 0.0946 0.1082
Giardia lamblia Kinase, CMGC CLK 0.0065 0.0632 0.3151
Trypanosoma brucei cdc2-related kinase 1 0.0135 0.1676 0.5705
Schistosoma mansoni serine/threonine protein kinase 0.0135 0.1676 0.2075
Loa Loa (eye worm) CAMK/PIM protein kinase 0.033 0.4584 0.4501
Loa Loa (eye worm) hypothetical protein 0.0182 0.2384 0.2266
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0186 0.2441 1
Plasmodium falciparum carbonic anhydrase 0.0086 0.0946 0.3011
Schistosoma mansoni cyclin-dependent kinase 5 activator 0.0526 0.7493 1
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.033 0.4584 0.6038
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0065 0.0632 0.2097
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0065 0.0632 0.1797
Echinococcus multilocularis cyclin dependent kinase 5 0.0135 0.1676 0.2075
Echinococcus granulosus cyclin dependent kinase 5 activator 1 0.0526 0.7493 1
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0186 0.2441 0.8569
Loa Loa (eye worm) hypothetical protein 0.0086 0.0946 0.0806
Giardia lamblia Kinase, CMGC CDK 0.0135 0.1676 1
Trypanosoma cruzi cdc2-related kinase 1 0.0135 0.1676 0.6657
Leishmania major protein kinase, putative 0.0065 0.0632 0.2097
Trichomonas vaginalis cyclin B, putative 0.0032 0.0152 0.091
Giardia lamblia Kinase, CMGC CDK 0.0135 0.1676 1
Schistosoma mansoni hypothetical protein 0.0212 0.2823 0.3638
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0065 0.0632 0.2097
Loa Loa (eye worm) hypothetical protein 0.0182 0.2384 0.2266
Plasmodium vivax protein kinase Crk2 0.0135 0.1676 1
Echinococcus granulosus carbonic anhydrase 0.0086 0.0946 0.1082
Trichomonas vaginalis cyclins, putative 0.0032 0.0152 0.091
Brugia malayi Serine/threonine-protein kinase Pim-3 0.033 0.4584 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.0946 0.0806
Brugia malayi Protein kinase domain containing protein 0.0186 0.2441 0.5163
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0186 0.2441 1
Trichomonas vaginalis cyclin A, putative 0.0032 0.0152 0.091
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0086 0.0946 0.1792
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0065 0.0632 0.1797
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0086 0.0946 0.1082
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0086 0.0946 0.347
Plasmodium falciparum protein kinase 5 0.0135 0.1676 1
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0186 0.2441 1
Loa Loa (eye worm) CAMK/PIM protein kinase 0.033 0.4584 0.4501
Echinococcus granulosus carbonic anhydrase 0.0086 0.0946 0.1082
Echinococcus multilocularis carbonic anhydrase 0.0086 0.0946 0.1082
Brugia malayi cell division control protein 2 homolog 0.0135 0.1676 0.3437
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0135 0.1676 0.1547
Echinococcus multilocularis dual specificity protein kinase clk2 0.0065 0.0632 0.0654
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0135 0.1676 0.1547
Leishmania major carbonic anhydrase-like protein 0.0086 0.0946 0.347
Echinococcus granulosus hypothetical protein 0.0061 0.0576 0.0577
Loa Loa (eye worm) hypothetical protein 0.0061 0.0576 0.043
Trypanosoma brucei RNA helicase, putative 0.0212 0.2823 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0135 0.1676 0.6657
Echinococcus granulosus carbonic anhydrase 0.0086 0.0946 0.1082
Echinococcus multilocularis cyclin dependent kinase 0.0135 0.1676 0.2075
Schistosoma mansoni serine/threonine protein kinase 0.033 0.4584 0.6038
Trichomonas vaginalis CMGC family protein kinase 0.0135 0.1676 1
Trichomonas vaginalis cyclins, putative 0.0032 0.0152 0.091
Trypanosoma cruzi cdc2-related kinase 3 0.0135 0.1676 0.6657
Trichomonas vaginalis CMGC family protein kinase 0.0135 0.1676 1
Trichomonas vaginalis cyclin B, putative 0.0032 0.0152 0.091
Echinococcus multilocularis dual specificity 0.0186 0.2441 0.3117
Echinococcus granulosus dual specificity 0.0186 0.2441 0.3117
Echinococcus multilocularis cyclin dependent kinase 5 activator 1 0.0526 0.7493 1
Trichomonas vaginalis cyclin B, putative 0.0032 0.0152 0.091
Entamoeba histolytica hypothetical protein 0.0186 0.2441 1
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.033 0.4584 0.6038
Schistosoma mansoni carbonic anhydrase-related 0.0086 0.0946 0.1082
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0135 0.1676 0.6657
Loa Loa (eye worm) hypothetical protein 0.0252 0.3415 0.3313
Trichomonas vaginalis cyclins, putative 0.0032 0.0152 0.091
Loa Loa (eye worm) carbonic anhydrase 3 0.0086 0.0946 0.0806
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0135 0.1676 0.1547
Brugia malayi Protein kinase domain containing protein 0.033 0.4584 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0086 0.0946 0.1792
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0086 0.0946 0.0806
Trypanosoma brucei carbonic anhydrase-like protein 0.0086 0.0946 0.2974
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0065 0.0632 0.0487
Entamoeba histolytica protein kinase, putative 0.0186 0.2441 1
Echinococcus granulosus dual specificity protein kinase clk2 0.0065 0.0632 0.0654
Entamoeba histolytica cell division protein kinase 2, putative 0.0135 0.1676 0.6657
Schistosoma mansoni serine/threonine protein kinase 0.0065 0.0632 0.0654
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0086 0.0946 0.1792
Schistosoma mansoni carbonic anhydrase 0.0086 0.0946 0.1082
Brugia malayi Protein kinase domain containing protein 0.0135 0.1676 0.3437
Entamoeba histolytica protein kinase, putative 0.0186 0.2441 1
Entamoeba histolytica protein kinase domain containing protein 0.0186 0.2441 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0086 0.0946 0.1792
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0086 0.0946 0.1792
Echinococcus multilocularis carbonic anhydrase II 0.0086 0.0946 0.1082
Loa Loa (eye worm) hypothetical protein 0.0131 0.1619 0.149
Trypanosoma brucei cdc2-related kinase 3 0.0135 0.1676 0.5705
Brugia malayi Protein kinase domain containing protein 0.0065 0.0632 0.1083
Schistosoma mansoni serine/threonine protein kinase 0.0065 0.0632 0.0654
Echinococcus multilocularis carbonic anhydrase 0.0086 0.0946 0.1082
Schistosoma mansoni serine/threonine protein kinase 0.0135 0.1676 0.2075
Brugia malayi hypothetical protein 0.0252 0.3415 0.7362
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0086 0.0946 0.347
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0086 0.0946 0.1792
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0086 0.0946 0.1082
Echinococcus multilocularis cyclin dependent kinase 1 0.0135 0.1676 0.2075
Echinococcus multilocularis carbonic anhydrase 0.0086 0.0946 0.1082
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0135 0.1676 1
Schistosoma mansoni serine/threonine protein kinase 0.0186 0.2441 0.3117
Loa Loa (eye worm) hypothetical protein 0.0526 0.7493 0.7454
Trichomonas vaginalis cyclins, putative 0.0032 0.0152 0.091
Schistosoma mansoni carbonic anhydrase-related 0.0086 0.0946 0.1082
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0135 0.1676 0.6657
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.033 0.4584 1
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0135 0.1676 0.2075
Trichomonas vaginalis cyclin B, putative 0.0032 0.0152 0.091
Echinococcus granulosus cyclin dependent kinase 5 0.0135 0.1676 0.2075
Leishmania major protein kinase, putative 0.0065 0.0632 0.2097
Echinococcus granulosus cyclin dependent kinase 1 0.0135 0.1676 0.2075
Trypanosoma cruzi cdc2-related kinase 1 0.0135 0.1676 0.6657
Schistosoma mansoni carbonic anhydrase-related 0.0086 0.0946 0.1082
Trypanosoma cruzi cdc2-related kinase 3 0.0135 0.1676 0.6657
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0086 0.0946 0.0806
Trichomonas vaginalis CMGC family protein kinase 0.0135 0.1676 1
Loa Loa (eye worm) hypothetical protein 0.0252 0.3415 0.3313
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0186 0.2441 0.2324
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0065 0.0632 0.2097

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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