Detailed information for compound 871737

Basic information

Technical information
  • TDR Targets ID: 871737
  • Name: 1-(4,4,6,8-tetramethyl-1-sulfanylidenedithiol o[3,4-c]quinolin-5-yl)propan-1-one
  • MW: 349.534 | Formula: C17H19NOS3
  • H donors: 0 H acceptors: 1 LogP: 3.53 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(=O)N1c2c(C)cc(cc2c2c(C1(C)C)ssc2=S)C
  • InChi: 1S/C17H19NOS3/c1-6-12(19)18-14-10(3)7-9(2)8-11(14)13-15(17(18,4)5)21-22-16(13)20/h7-8H,6H2,1-5H3
  • InChiKey: DPZHJTKYCNXNLT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4,4,6,8-tetramethyl-1-thioxo-dithiolo[3,4-c]quinolin-5-yl)propan-1-one
  • 1-(4,4,6,8-tetramethyl-1-thioxo-5-dithiolo[3,4-c]quinolinyl)propan-1-one
  • 1-(4,4,6,8-tetramethyl-1-sulfanylidene-[1,2]dithiolo[3,4-c]quinolin-5-yl)propan-1-one
  • CDS1_002766
  • DivK1c_003806
  • ChemDivAM_001221
  • ChemDiv1_022542
  • ZINC00052814
  • AG-690/12002186
  • BAS 00757536
  • A2053/0086340

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 tyrosine protein kinase lyn tyrosine protein kinase blk 0.0025 0.0067 0.0143
Trypanosoma cruzi cdc2-related kinase 1 0.0049 0.0458 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 0.0891 0.1907
Echinococcus granulosus plexin a4 0.0213 0.3139 0.3139
Echinococcus multilocularis insulin receptor 0.0307 0.467 1
Schistosoma mansoni plexin 0.0105 0.1373 0.2941
Schistosoma mansoni hypothetical protein 0.0075 0.0891 0.1907
Brugia malayi map kinase activated protein kinase protein 2 0.0202 0.2956 0.633
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0025 0.0067 0.0143
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.0458 0.0981
Brugia malayi Sema domain containing protein 0.0075 0.0891 0.1907
Echinococcus multilocularis tyrosine protein kinase Abl 0.0025 0.0067 0.0143
Entamoeba histolytica hypothetical protein 0.0033 0.0201 0.4279
Echinococcus multilocularis exocyst complex component 2 0.0033 0.0201 0.043
Plasmodium falciparum protein kinase 5 0.0049 0.0458 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0201 0.043
Schistosoma mansoni semaphorin 5-related 0.0075 0.0891 0.1907
Schistosoma mansoni tyrosine kinase 0.0025 0.0067 0.0143
Onchocerca volvulus 0.018 0.2601 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0307 0.467 1
Echinococcus granulosus c src tyrosine kinase 0.0025 0.0067 0.0067
Brugia malayi hypothetical protein 0.0045 0.0398 0.0853
Brugia malayi Immunoglobulin I-set domain containing protein 0.0219 0.3239 0.6937
Loa Loa (eye worm) TK/INSR protein kinase 0.0307 0.467 1
Loa Loa (eye worm) SRC-1 0.0025 0.0067 0.0143
Brugia malayi Probable exocyst complex component Sec5 0.0033 0.0201 0.043
Echinococcus granulosus epidermal growth factor receptor 0.0147 0.2066 0.2066
Loa Loa (eye worm) hypothetical protein 0.0045 0.0398 0.0853
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0045 0.0398 0.0853
Schistosoma mansoni nephrin 0.0048 0.0442 0.0946
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.0202 0.2956 0.633
Echinococcus granulosus MAP kinase activated protein kinase 2 0.0202 0.2956 0.2956
Echinococcus multilocularis cyclin dependent kinase 0.0049 0.0458 0.0981
Schistosoma mansoni hypothetical protein 0.0105 0.1373 0.2941
Schistosoma mansoni vesicular amine transporter 0.0045 0.0398 0.0853
Loa Loa (eye worm) hypothetical protein 0.0105 0.1373 0.2941
Entamoeba histolytica cell division protein kinase 2, putative 0.0049 0.0458 0.9765
Giardia lamblia Kinase, CMGC CDK 0.0049 0.0458 0.5
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0307 0.467 0.467
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0025 0.0067 0.0143
Loa Loa (eye worm) hypothetical protein 0.0045 0.0398 0.0853
Loa Loa (eye worm) hypothetical protein 0.0075 0.0891 0.1907
Entamoeba histolytica cell division protein kinase 2, putative 0.0049 0.0458 0.9765
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0049 0.0458 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0458 1
Echinococcus granulosus transcription factor collier 0.0033 0.0201 0.0201
Echinococcus multilocularis hypothetical protein 0.0075 0.0891 0.1907
Loa Loa (eye worm) hypothetical protein 0.0075 0.0891 0.1907
Schistosoma mansoni cell adhesion molecule 0.0048 0.0454 0.0971
Brugia malayi Fibronectin type III domain containing protein 0.0045 0.0398 0.0853
Loa Loa (eye worm) hypothetical protein 0.0045 0.0398 0.0853
Echinococcus granulosus roundabout 2 0.0051 0.0497 0.0497
Schistosoma mansoni hypothetical protein 0.0033 0.0201 0.043
Echinococcus multilocularis c src tyrosine kinase 0.0025 0.0067 0.0143
Echinococcus granulosus tyrosine protein kinase Fyn 0.0025 0.0067 0.0067
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0219 0.3239 0.6937
Echinococcus granulosus tyrosine protein kinase Fyn 0.0025 0.0067 0.0067
Brugia malayi hypothetical protein 0.0075 0.0891 0.1907
Echinococcus granulosus tyrosine protein kinase Src42A 0.0025 0.0067 0.0067
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0049 0.0458 0.0981
Loa Loa (eye worm) sema domain-containing protein 0.0075 0.0891 0.1907
Echinococcus granulosus exocyst complex component 2 0.0033 0.0201 0.0201
Echinococcus granulosus cyclin dependent kinase 5 0.0049 0.0458 0.0458
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0025 0.0067 0.0143
Entamoeba histolytica hypothetical protein 0.0033 0.0201 0.4279
Echinococcus multilocularis epidermal growth factor receptor 0.0147 0.2066 0.4424
Echinococcus granulosus insulin receptor 0.0307 0.467 0.467
Plasmodium vivax protein kinase Crk2 0.0049 0.0458 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.0025 0.0067 0.0067
Loa Loa (eye worm) sema domain-containing protein 0.0075 0.0891 0.1907
Trypanosoma cruzi cdc2-related kinase 3 0.0049 0.0458 0.5
Echinococcus multilocularis roundabout 2 0.0051 0.0497 0.1064
Schistosoma mansoni tyrosine kinase 0.0131 0.1797 0.3849
Loa Loa (eye worm) hypothetical protein 0.018 0.2601 0.557
Entamoeba histolytica tyrosin kinase, putative 0.0049 0.0469 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0201 0.043
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0025 0.0067 0.0143
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0025 0.0067 0.0143
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0049 0.0458 0.5
Onchocerca volvulus 0.0154 0.218 0.8381
Echinococcus multilocularis 0.0038 0.0287 0.0615
Echinococcus granulosus neuroglian 0.0048 0.0442 0.0442
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0025 0.0067 0.0067
Giardia lamblia Kinase, CMGC CDK 0.0049 0.0458 0.5
Brugia malayi Plexin repeat family protein 0.018 0.2601 0.557
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0025 0.0067 0.0067
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0045 0.0398 0.0853
Schistosoma mansoni fibrocystin l 0.0033 0.0201 0.043
Loa Loa (eye worm) hypothetical protein 0.0075 0.0891 0.1907
Echinococcus multilocularis Immunoglobulin 0.0045 0.0398 0.0853
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0025 0.0067 0.0143
Schistosoma mansoni tyrosine kinase 0.0025 0.0067 0.0143
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0045 0.0398 0.0853
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0025 0.0067 0.0143
Loa Loa (eye worm) hypothetical protein 0.0045 0.0398 0.0853
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0458 1
Echinococcus multilocularis cyclin dependent kinase 1 0.0049 0.0458 0.0981
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0049 0.0458 0.0458
Schistosoma mansoni tyrosine kinase 0.0131 0.1797 0.3849
Brugia malayi Immunoglobulin I-set domain containing protein 0.0045 0.0398 0.0853
Echinococcus granulosus semaphorin 1A 0.0075 0.0891 0.0891
Schistosoma mansoni hypothetical protein 0.0075 0.0891 0.1907
Loa Loa (eye worm) hypothetical protein 0.0051 0.0497 0.1064
Schistosoma mansoni tyrosine kinase 0.0147 0.2066 0.4424
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0049 0.0458 0.5
Schistosoma mansoni tyrosine kinase 0.0025 0.0067 0.0143
Echinococcus granulosus tyrosine protein kinase Lyn 0.0026 0.0084 0.0084
Loa Loa (eye worm) TK/EGFR protein kinase 0.0147 0.2066 0.4424
Schistosoma mansoni plexin 0.018 0.2601 0.557
Echinococcus multilocularis cyclin dependent kinase 5 0.0049 0.0458 0.0981
Brugia malayi Protein kinase domain containing protein 0.0176 0.2535 0.5429
Loa Loa (eye worm) hypothetical protein 0.0048 0.0441 0.0945
Entamoeba histolytica hypothetical protein 0.0033 0.0201 0.4279
Echinococcus multilocularis Immunoglobulin 0.0045 0.0398 0.0853
Loa Loa (eye worm) plexin A 0.0213 0.3139 0.6722
Entamoeba histolytica protein kinase domain containing protein 0.0049 0.0469 1
Echinococcus granulosus twitchin 0.0049 0.0458 0.0458
Schistosoma mansoni tyrosine kinase 0.0147 0.2066 0.4424
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0049 0.0458 0.0981
Onchocerca volvulus Tyrosine kinase homolog 0.0174 0.2492 0.958
Echinococcus granulosus epidermal growth factor receptor 0.0147 0.2066 0.2066
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0025 0.0067 0.0143
Schistosoma mansoni tyrosine kinase 0.0307 0.467 1
Trypanosoma cruzi cdc2-related kinase 1 0.0049 0.0458 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0202 0.2956 0.633
Brugia malayi Tyrosine-protein kinase abl-1 0.0025 0.0067 0.0143
Echinococcus multilocularis plexin a4 0.0213 0.3139 0.6722
Schistosoma mansoni hypothetical protein 0.0033 0.0201 0.043
Brugia malayi hypothetical protein 0.0075 0.0891 0.1907
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.0202 0.2956 0.633
Entamoeba histolytica cell surface protease gp63, putative 0.0033 0.0201 0.4279
Brugia malayi Sema domain containing protein 0.0075 0.0891 0.1907
Echinococcus granulosus cyclin dependent kinase 0.0049 0.0458 0.0458
Echinococcus granulosus defective proboscis extension response 0.0045 0.0398 0.0398
Loa Loa (eye worm) hypothetical protein 0.0075 0.0891 0.1907
Loa Loa (eye worm) hypothetical protein 0.0033 0.0201 0.043
Echinococcus granulosus cyclin dependent kinase 1 0.0049 0.0458 0.0458
Brugia malayi Protein kinase domain containing protein 0.0307 0.467 1
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.0458 0.0981
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0049 0.0458 0.0981
Loa Loa (eye worm) hypothetical protein 0.0048 0.0454 0.0971
Trypanosoma cruzi cdc2-related kinase 3 0.0049 0.0458 0.5
Echinococcus granulosus tyrosine protein kinase Src64B 0.0025 0.0067 0.0067
Echinococcus multilocularis epidermal growth factor receptor 0.0147 0.2066 0.4424
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0147 0.2066 0.2066
Schistosoma mansoni tyrosine kinase 0.0131 0.1797 0.3849
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0048 0.0454 0.0454
Brugia malayi plexin A 0.0213 0.3139 0.6722
Schistosoma mansoni tyrosine kinase 0.0307 0.467 1
Schistosoma mansoni tyrosine kinase 0.0023 0.003 0.0064
Loa Loa (eye worm) hypothetical protein 0.0051 0.0497 0.1064
Echinococcus multilocularis transcription factor collier 0.0033 0.0201 0.043
Echinococcus granulosus semaphorin 5B 0.0075 0.0891 0.0891
Trypanosoma brucei cdc2-related kinase 1 0.0049 0.0458 0.5
Echinococcus multilocularis cyclin dependent kinase 1 0.0049 0.0458 0.0981
Loa Loa (eye worm) hypothetical protein 0.0045 0.0398 0.0853
Brugia malayi Protein kinase domain containing protein 0.0049 0.0458 0.0981
Brugia malayi DNA-binding protein LAG-1 0.0033 0.0201 0.043
Trypanosoma brucei cdc2-related kinase 3 0.0049 0.0458 0.5
Brugia malayi SRC-1 0.0025 0.0067 0.0143
Brugia malayi cell division control protein 2 homolog 0.0049 0.0458 0.0981
Brugia malayi IPT/TIG domain containing protein 0.0033 0.0201 0.043
Echinococcus multilocularis semaphorin 5B 0.0075 0.0891 0.1907
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0025 0.0067 0.0143
Schistosoma mansoni tyrosine kinase 0.0025 0.0067 0.0143
Brugia malayi Furin-like cysteine rich region family protein 0.0147 0.2066 0.4424
Entamoeba histolytica hypothetical protein 0.0033 0.0201 0.4279
Loa Loa (eye worm) hypothetical protein 0.0045 0.0398 0.0853
Echinococcus granulosus Immunoglobulin 0.0045 0.0398 0.0398
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0025 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0075 0.0891 0.1907
Schistosoma mansoni tyrosine kinase 0.0147 0.2066 0.4424
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0025 0.0067 0.0143
Echinococcus multilocularis neuroglian 0.0048 0.0442 0.0946
Loa Loa (eye worm) hypothetical protein 0.0033 0.0201 0.043
Loa Loa (eye worm) hypothetical protein 0.016 0.2267 0.4854
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0458 1
Onchocerca volvulus 0.0075 0.0891 0.3424

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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