Detailed information for compound 731055

Basic information

Technical information
  • TDR Targets ID: 731055
  • Name: CBKinase1_001679
  • MW: 445.317 | Formula: C18H18Cl2N2O5S
  • H donors: 1 H acceptors: 4 LogP: 3.45 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(c(c1)NC(=O)CN(S(=O)(=O)C)c1ccc(c(c1)Cl)Cl)C
  • InChi: 1S/C18H18Cl2N2O5S/c1-11-4-5-12(18(24)27-2)8-16(11)21-17(23)10-22(28(3,25)26)13-6-7-14(19)15(20)9-13/h4-9H,10H2,1-3H3,(H,21,23)
  • InChiKey: GNLRYOXIFAOANK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC01148389
  • CBKinase1_014079

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 histone lysine methyltransferase setb 0.0017 0.004 0.004
Schistosoma mansoni zinc finger protein 0.002 0.0155 0.0257
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0897 0.0897
Echinococcus multilocularis thyroid hormone receptor alpha 0.0136 0.5356 0.5356
Echinococcus multilocularis peptidase Clp (S14 family) 0.0059 0.1896 0.1896
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.1456 0.1456
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.1384 0.1384
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.012 0.4635 1
Plasmodium falciparum glutathione reductase 0.0047 0.1384 0.4221
Loa Loa (eye worm) hypothetical protein 0.024 1 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0108 0.4096 0.8837
Loa Loa (eye worm) MH2 domain-containing protein 0.013 0.508 0.506
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0031 0.0648 0.1978
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.009 0.3278 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0126 0.4903 0.4903
Mycobacterium tuberculosis Probable reductase 0.0108 0.4096 0.8837
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.009 0.3278 0.3278
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.1384 0.1349
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.004 0.0067
Brugia malayi PHD-finger family protein 0.0025 0.0397 0.0397
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.009 0.3278 0.6596
Mycobacterium tuberculosis Probable dehydrogenase 0.0108 0.4096 0.8837
Mycobacterium tuberculosis Probable oxidoreductase 0.012 0.4635 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0 0.5
Trichomonas vaginalis glutathione reductase, putative 0.0016 0 0.5
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0059 0.1896 0.3129
Toxoplasma gondii thioredoxin reductase 0.0047 0.1384 0.4221
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.004 0.0067
Echinococcus granulosus peptidase Clp S14 family 0.0059 0.1896 0.1896
Loa Loa (eye worm) hypothetical protein 0.009 0.3278 0.3251
Schistosoma mansoni hypothetical protein 0.0049 0.1456 0.2419
Plasmodium vivax glutathione reductase, putative 0.0047 0.1384 0.4221
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.029 0.0481
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.1384 0.4221
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.029 0.029
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.009 0.3278 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.029 0.029
Schistosoma mansoni peptidase Clp (S14 family) 0.009 0.3278 0.5447
Schistosoma mansoni thyroid hormone receptor 0.0136 0.5356 0.8899
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0108 0.4096 0.8648
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.009 0.3278 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0126 0.4903 0.4903
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.009 0.3278 1
Schistosoma mansoni bromodomain containing protein 0.0064 0.2139 0.3553
Plasmodium falciparum thioredoxin reductase 0.0047 0.1384 0.4221
Loa Loa (eye worm) hypothetical protein 0.0043 0.1202 0.1166
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0897 0.0897
Echinococcus multilocularis survival motor neuron protein 1 0.024 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.013 0.508 0.506
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.009 0.3278 1
Brugia malayi Thioredoxin reductase 0.0047 0.1384 0.1384
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0041 0.1115 0.1079
Loa Loa (eye worm) glutathione reductase 0.0047 0.1384 0.1349
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.012 0.4635 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.012 0.4635 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0108 0.4096 0.8837
Schistosoma mansoni hypothetical protein 0.0021 0.0203 0.0337
Loa Loa (eye worm) hypothetical protein 0.0072 0.2476 0.2446
Schistosoma mansoni hypothetical protein 0.0126 0.4903 0.8147
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0059 0.1896 0.409
Schistosoma mansoni thyroid hormone receptor 0.0136 0.5356 0.8899
Brugia malayi Probable ClpP-like protease 0.009 0.3278 0.3278
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.004 0.004
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.004 0.004
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.1976 0.1976
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.009 0.3278 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.1384 0.2985
Trichomonas vaginalis mercuric reductase, putative 0.0016 0 0.5
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0031 0.0648 0.1978
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0203 0.0163
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.1976 0.1976
Leishmania major trypanothione reductase 0.0047 0.1384 1
Brugia malayi Bromodomain containing protein 0.0039 0.1005 0.1005
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0068 0.0028
Trypanosoma brucei trypanothione reductase 0.0047 0.1384 1
Brugia malayi glutathione reductase 0.0047 0.1384 0.1384
Loa Loa (eye worm) hypothetical protein 0.0039 0.1008 0.0972
Onchocerca volvulus 0.0049 0.1456 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.004 0.0067
Brugia malayi MH2 domain containing protein 0.013 0.508 0.508
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.009 0.3278 1
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.1384 1
Echinococcus granulosus zinc finger protein 0.002 0.0155 0.0155
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0031 0.0648 0.1978
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0108 0.4096 0.8837
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.009 0.3278 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.009 0.3278 1
Schistosoma mansoni survival motor neuron protein 0.0049 0.1456 0.2419
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0108 0.4096 0.8837
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.1384 0.1384
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.009 0.3278 1
Echinococcus granulosus survival motor neuron protein 1 0.024 1 1
Echinococcus multilocularis zinc finger protein 0.002 0.0155 0.0155
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.004 0.0067
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.009 0.3278 0.3278
Brugia malayi Bromodomain containing protein 0.0076 0.2671 0.2671
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0059 0.1896 0.409
Toxoplasma gondii hypothetical protein 0.0031 0.0648 0.1978

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.
 
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

No literature references available for this target.

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