Detailed information for compound 737355

Basic information

Technical information
  • TDR Targets ID: 737355
  • Name: CBKinase1_015700
  • MW: 416.496 | Formula: C23H20N4O2S
  • H donors: 0 H acceptors: 4 LogP: 4.27 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)n1c(SCC(=O)c2ccccc2)nnc1c1ccncc1
  • InChi: 1S/C23H20N4O2S/c1-2-29-20-10-8-19(9-11-20)27-22(18-12-14-24-15-13-18)25-26-23(27)30-16-21(28)17-6-4-3-5-7-17/h3-15H,2,16H2,1H3
  • InChiKey: VEROVIAIMBHPRC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • CBKinase1_003300
  • ST5418065

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 multilocularis mitogen activated protein kinase 3 0.0056 0.0016 0.0016
Loa Loa (eye worm) carboxylesterase 1.0457 1 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0056 0.0016 0.03
Mycobacterium ulcerans DNA gyrase subunit A 0.0094 0.0053 0.0317
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 1.0457 1 1
Chlamydia trachomatis DNA gyrase subunit B 0.0202 0.0156 0.6674
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0256 0.0208 0.3953
Loa Loa (eye worm) hypothetical protein 0.1767 0.1658 0.1658
Mycobacterium ulcerans DNA gyrase subunit B 0.0256 0.0208 0.1252
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0016 0.0095
Trypanosoma brucei DNA topoisomerase IB, large subunit 0.0586 0.0525 1
Brugia malayi Carboxylesterase family protein 0.1767 0.1658 0.1658
Echinococcus granulosus p2X purinoceptor 4 0.0905 0.0831 0.0831
Schistosoma mansoni DNA topoisomerase type I 0.0586 0.0525 0.0525
Echinococcus granulosus p2X purinoceptor 4 0.0905 0.0831 0.0831
Plasmodium vivax topoisomerase I, putative 0.0586 0.0525 1
Brugia malayi RNA recognition motif domain containing protein 0.007 0.0029 0.0029
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0296 0.0247 0.1487
Entamoeba histolytica DNA topoisomerase II, putative 0.0438 0.0383 1
Loa Loa (eye worm) TOPoisomerase family member 0.0438 0.0383 0.0383
Loa Loa (eye worm) hypothetical protein 0.006 0.002 0.002
Echinococcus granulosus DNA topoisomerase 1 0.0586 0.0525 0.0525
Loa Loa (eye worm) hypothetical protein 0.0297 0.0247 0.0247
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0056 0.0016 0.03
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.0029 0.0029
Plasmodium vivax DNA gyrase subunit B, putative 0.0256 0.0208 0.3953
Mycobacterium ulcerans carboxylesterase, LipT 0.1767 0.1658 1
Onchocerca volvulus 0.1767 0.1658 1
Echinococcus granulosus para nitrobenzyl esterase 0.1767 0.1658 0.1658
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0438 0.0383 0.0383
Loa Loa (eye worm) TAR-binding protein 0.007 0.0029 0.0029
Schistosoma mansoni tar DNA-binding protein 0.007 0.0029 0.0029
Onchocerca volvulus 0.1767 0.1658 1
Echinococcus granulosus geminin 0.0186 0.0141 0.0141
Echinococcus multilocularis p2X purinoceptor 4 0.0905 0.0831 0.0831
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0296 0.0247 0.1487
Echinococcus multilocularis acetylcholinesterase 1.0457 1 1
Trypanosoma cruzi DNA topoisomerase II, putative 0.0415 0.036 0.6863
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0056 0.0016 0.03
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0056 0.0016 0.03
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0256 0.0208 0.1252
Schistosoma mansoni neuroligin 3 (S09 family) 0.1767 0.1658 0.1658
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0415 0.036 0.6863
Loa Loa (eye worm) carboxylesterase 0.1767 0.1658 0.1658
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0296 0.0247 0.1487
Echinococcus granulosus neuroligin 0.1767 0.1658 0.1658
Brugia malayi Bromodomain containing protein 0.0042 0.0002 0.0002
Onchocerca volvulus 0.1767 0.1658 1
Echinococcus multilocularis microtubule associated protein 2 0.0757 0.0689 0.0689
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0321 0.027 0.1628
Brugia malayi RNA binding protein 0.007 0.0029 0.0029
Loa Loa (eye worm) hypothetical protein 1.0457 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0016 0.0095
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0321 0.027 0.1628
Loa Loa (eye worm) hypothetical protein 0.0045 0.0005 0.0005
Echinococcus granulosus mitogen activated protein kinase 0.0056 0.0016 0.0016
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0114 0.0071 0.6354
Echinococcus multilocularis mitogen activated protein kinase 0.0056 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.1767 0.1658 0.1658
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0016 0.0095
Brugia malayi TAR-binding protein 0.007 0.0029 0.0029
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.1767 0.1658 1
Toxoplasma gondii DNA topoisomerase 2, putative 0.0438 0.0383 0.7295
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1767 0.1658 0.1658
Loa Loa (eye worm) hypothetical protein 0.0042 0.0002 0.0002
Schistosoma mansoni P2X receptor subunit 0.0905 0.0831 0.0831
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0415 0.036 0.6863
Brugia malayi DNA topoisomerase I 0.0586 0.0525 0.0525
Loa Loa (eye worm) hypothetical protein 0.1767 0.1658 0.1658
Toxoplasma gondii DNA topoisomerase I, putative 0.0586 0.0525 1
Onchocerca volvulus 0.1767 0.1658 1
Mycobacterium tuberculosis DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0094 0.0053 0.0317
Echinococcus granulosus microtubule associated protein 2 0.0757 0.0689 0.0689
Giardia lamblia DNA topoisomerase II 0.0416 0.0361 1
Schistosoma mansoni gliotactin 0.1767 0.1658 0.1658
Schistosoma mansoni DNA topoisomerase II 0.0438 0.0383 0.0383
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0492 0.0435 0.8277
Echinococcus granulosus BC026374 protein S09 family 0.1767 0.1658 0.1658
Brugia malayi MAP kinase sur-1 0.0056 0.0016 0.0016
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0066 0.0025 0.0025
Schistosoma mansoni tar DNA-binding protein 0.007 0.0029 0.0029
Schistosoma mansoni bromodomain containing protein 0.0069 0.0029 0.0029
Loa Loa (eye worm) hypothetical protein 0.1767 0.1658 0.1658
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0321 0.027 0.1628
Schistosoma mansoni BC026374 protein (S09 family) 0.1767 0.1658 0.1658
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0256 0.0208 0.7129
Mycobacterium tuberculosis Carboxylesterase LipT 0.1767 0.1658 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0321 0.027 0.1628
Plasmodium falciparum DNA topoisomerase 2 0.0438 0.0383 0.6994
Brugia malayi Carboxylesterase family protein 0.1767 0.1658 0.1658
Loa Loa (eye worm) hypothetical protein 0.0078 0.0037 0.0037
Echinococcus granulosus acetylcholinesterase 1.0457 1 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.1767 0.1658 0.1658
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0056 0.0016 0.03
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0381 0.0328 0.8271
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0066 0.0025 0.0025
Echinococcus multilocularis geminin 0.0186 0.0141 0.0141
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0321 0.027 0.643
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1767 0.1658 0.1658
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0321 0.027 0.1628
Brugia malayi Carboxylesterase family protein 0.1767 0.1658 0.1658
Schistosoma mansoni P2X receptor subunit 0.0905 0.0831 0.0831
Echinococcus multilocularis tar DNA binding protein 0.007 0.0029 0.0029
Schistosoma mansoni hypothetical protein 0.0186 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.006 0.002 0.002
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0157 0.0112 0.0678
Loa Loa (eye worm) DNA topoisomerase I 0.0586 0.0525 0.0525
Plasmodium vivax DNA topoisomerase II, putative 0.0438 0.0383 0.7295
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0056 0.0016 0.0016
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0016 0.0095
Echinococcus multilocularis neuroligin 0.1767 0.1658 0.1658
Schistosoma mansoni DNA topoisomerase type I 0.0586 0.0525 0.0525
Schistosoma mansoni serine/threonine protein kinase 0.0056 0.0016 0.0016
Brugia malayi Probable DNA topoisomerase II 0.0438 0.0383 0.0383
Trypanosoma brucei DNA topoisomerase ii 0.0492 0.0435 0.8277
Onchocerca volvulus 0.1767 0.1658 1
Trypanosoma cruzi DNA topoisomerase IB, large subunit, putative 0.0586 0.0525 1
Loa Loa (eye worm) hypothetical protein 0.0178 0.0133 0.0133
Schistosoma mansoni acetylcholinesterase 0.1767 0.1658 0.1658
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0321 0.027 0.643
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0438 0.0383 0.0383
Toxoplasma gondii DNA gyrase/topoisomerase IV, A subunit domain-containing protein 0.0094 0.0053 0.1002
Giardia lamblia Fructose-bisphosphate aldolase 0.0321 0.027 0.736
Echinococcus granulosus tar DNA binding protein 0.007 0.0029 0.0029
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0157 0.0112 0.0678
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0438 0.0383 0.0383
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0252 0.0204 0.1232
Echinococcus granulosus mitogen activated protein kinase 3 0.0056 0.0016 0.0016
Echinococcus multilocularis DNA topoisomerase 1 0.0586 0.0525 0.0525
Echinococcus multilocularis acetylcholinesterase 1.0457 1 1
Echinococcus multilocularis p2X purinoceptor 4 0.0905 0.0831 0.0831
Trichomonas vaginalis spcc417.12 protein, putative 0.1767 0.1658 1
Trypanosoma cruzi DNA topoisomerase II, putative 0.0415 0.036 0.6863
Brugia malayi Bromodomain containing protein 0.0082 0.0041 0.0041
Echinococcus multilocularis p2X purinoceptor 4 0.0905 0.0831 0.0831
Plasmodium falciparum DNA gyrase subunit B 0.0256 0.0208 0.3279
Schistosoma mansoni tar DNA-binding protein 0.007 0.0029 0.0029
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0321 0.027 0.1628
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.1767 0.1658 1
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0438 0.0383 0.0383
Brugia malayi hypothetical protein 0.1767 0.1658 0.1658
Leishmania major DNA topoisomerase ii 0.0415 0.036 0.6863
Schistosoma mansoni hypothetical protein 0.0186 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0047 0.0007 0.0007
Giardia lamblia DNA repair protein RAD52 0.0381 0.0328 0.9049
Loa Loa (eye worm) hypothetical protein 0.1767 0.1658 0.1658
Loa Loa (eye worm) hypothetical protein 1.0457 1 1
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0256 0.0208 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0157 0.0112 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0056 0.0016 0.03
Schistosoma mansoni P2X receptor subunit 0.0905 0.0831 0.0831
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0321 0.027 0.1628
Loa Loa (eye worm) hypothetical protein 0.0297 0.0247 0.0247
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0321 0.027 0.1628
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0056 0.0016 0.03
Echinococcus granulosus family S9 non peptidase ue S09 family 0.1767 0.1658 0.1658
Chlamydia trachomatis DNA gyrase subunit B 0.0256 0.0208 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.1767 0.1658 0.1658
Schistosoma mansoni tar DNA-binding protein 0.007 0.0029 0.0029
Echinococcus granulosus acetylcholinesterase 1.0457 1 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.0029 0.0029
Loa Loa (eye worm) hypothetical protein 0.1767 0.1658 0.1658
Loa Loa (eye worm) hypothetical protein 0.1767 0.1658 0.1658
Treponema pallidum fructose-bisphosphate aldolase 0.0321 0.027 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0056 0.0016 0.03
Trichomonas vaginalis DNA topoisomerase II, putative 0.0438 0.0383 0.231
Loa Loa (eye worm) hypothetical protein 0.0178 0.0133 0.0133
Loa Loa (eye worm) carboxylesterase 0.1767 0.1658 0.1658
Leishmania major DNA topoisomerase IB, large subunit 0.0586 0.0525 1
Echinococcus granulosus p2X purinoceptor 4 0.0905 0.0831 0.0831
Loa Loa (eye worm) hypothetical protein 0.006 0.002 0.002
Echinococcus multilocularis para nitrobenzyl esterase 0.1767 0.1658 0.1658
Loa Loa (eye worm) RNA binding protein 0.007 0.0029 0.0029
Schistosoma mansoni microtubule-associated protein tau 0.0757 0.0689 0.0689
Brugia malayi Carboxylesterase family protein 1.0457 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1767 0.1658 0.1658
Echinococcus multilocularis carboxylesterase 5A 1.0457 1 1
Schistosoma mansoni DNA topoisomerase type I 0.0586 0.0525 0.0525
Leishmania major mitochondrial DNA topoisomerase II 0.0492 0.0435 0.8277
Echinococcus granulosus carboxylesterase 5A 1.0457 1 1
Loa Loa (eye worm) acetylcholinesterase 1 1.0457 1 1
Plasmodium vivax DNA gyrase subunit A, putative 0.0094 0.0053 0.1002
Schistosoma mansoni P2X receptor subunit 0.0905 0.0831 0.0831
Plasmodium falciparum topoisomerase I 0.0586 0.0525 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.1767 0.1658 1
Trypanosoma brucei protein kinase, putative 0.0056 0.0016 0.03
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0492 0.0435 0.8277
Brugia malayi Carboxylesterase family protein 0.1767 0.1658 0.1658

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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