Detailed information for compound 1807702

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 437.942 | Formula: C23H20ClN3O2S
  • H donors: 1 H acceptors: 1 LogP: 5.9 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)NC1=NN(C(S1)c1ccccc1)C(=O)COc1cccc(c1)C
  • InChi: 1S/C23H20ClN3O2S/c1-16-6-5-9-20(14-16)29-15-21(28)27-22(17-7-3-2-4-8-17)30-23(26-27)25-19-12-10-18(24)11-13-19/h2-14,22H,15H2,1H3,(H,25,26)
  • InChiKey: PTUBPOWFOAEINV-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
Plasmodium vivax glutathione reductase, putative 0.0046 0.0461 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.0002 0.5
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0055 0.0595 0.0595
Leishmania major alpha tubulin 0.0019 0.0054 0.1126
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0118 0.1538 1
Plasmodium vivax tubulin alpha chain, putative 0.0019 0.0054 0.1126
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0051 0.0524 0.0524
Schistosoma mansoni tubulin subunit alpha 0.0019 0.0054 0.0054
Echinococcus multilocularis peroxisome assembly protein 26 0.0019 0.0054 0.0054
Entamoeba histolytica protein kinase, putative 0.0036 0.0303 1
Brugia malayi Tubulin alpha chain 0.0019 0.0054 0.0082
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0106 0.136 0.8837
Echinococcus multilocularis sodium bile acid cotransporter 0.0432 0.6296 0.6296
Echinococcus multilocularis c src tyrosine kinase 0.0019 0.0043 0.0043
Brugia malayi protein-tyrosine kinase 0.0043 0.0415 0.0657
Loa Loa (eye worm) alpha-tubulin 0.0019 0.0054 0.0085
Brugia malayi tubulin alpha-2 chain 0.0019 0.0054 0.0082
Echinococcus multilocularis Tubulin alpha 1 chain 0.0019 0.0054 0.0054
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0019 0.0054 1
Echinococcus granulosus tubulin alpha 3 chain 0.0019 0.0054 0.0054
Leishmania major alpha tubulin 0.0019 0.0054 0.1126
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0106 0.136 0.8837
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0461 0.0731
Echinococcus granulosus alpha tubulin 0.0019 0.0054 0.0054
Schistosoma mansoni sodium-bile acid cotransporter 0.0257 0.3645 0.3645
Echinococcus multilocularis Tubulin alpha 1 chain 0.0019 0.0054 0.0054
Trichomonas vaginalis tubulin beta chain, putative 0.0019 0.0054 1
Loa Loa (eye worm) tubulin alpha chain 0.0019 0.0054 0.0085
Trypanosoma brucei trypanothione reductase 0.0046 0.0461 1
Echinococcus multilocularis insulin receptor 0.0055 0.0595 0.0595
Trichomonas vaginalis tubulin beta chain, putative 0.0019 0.0054 1
Echinococcus granulosus tubulin alpha 3 chain 0.0019 0.0054 0.0054
Echinococcus granulosus tyrosine protein kinase Fyn 0.0051 0.0524 0.0524
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0461 1
Echinococcus granulosus sodium bile acid cotransporter 0.0432 0.6296 0.6296
Brugia malayi Thioredoxin reductase 0.0046 0.0461 0.0729
Plasmodium falciparum glutathione reductase 0.0046 0.0461 1
Echinococcus granulosus tyrosine protein kinase ABL1 0.0237 0.3341 0.3341
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0118 0.1538 1
Echinococcus granulosus tyrosine kinase 0.0043 0.0415 0.0415
Loa Loa (eye worm) hypothetical protein 0.0019 0.0054 0.0085
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0112 0.145 0.145
Echinococcus multilocularis tyrosine protein kinase HCK 0.0036 0.0303 0.0303
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0002 0.5
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0019 0.0043 0.0043
Echinococcus granulosus tubulin alpha chain 0.0019 0.0054 0.0054
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0002 0.0002
Schistosoma mansoni tubulin subunit alpha 0.0019 0.0054 0.0054
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0055 0.0595 0.0595
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0051 0.0524 0.0524
Echinococcus granulosus c src tyrosine kinase 0.0019 0.0043 0.0043
Echinococcus granulosus tyrosine protein kinase HCK 0.0036 0.0303 0.0303
Toxoplasma gondii alpha-tubulin I, putative 0.0019 0.0054 0.1126
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0002 0.0002
Echinococcus granulosus tubulin subunit TubB 0.0019 0.0054 0.0054
Echinococcus granulosus tyrosine protein kinase Lyn 0.0051 0.0524 0.0524
Brugia malayi alpha-tubulin 0.0019 0.0054 0.0082
Giardia lamblia Alpha-tubulin 0.0019 0.0054 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0039 0.0352 0.0352
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0051 0.0524 0.0524
Trichomonas vaginalis tubulin beta chain, putative 0.0019 0.0054 1
Echinococcus multilocularis tubulin subunit TubB 0.0019 0.0054 0.0054
Echinococcus granulosus tubulin alpha chain 0.0019 0.0054 0.0054
Trypanosoma brucei alpha tubulin 0.0019 0.0054 0.1126
Mycobacterium tuberculosis Probable reductase 0.0106 0.136 0.8837
Toxoplasma gondii thioredoxin reductase 0.0046 0.0461 1
Echinococcus granulosus tubulin alpha chain 0.0019 0.0054 0.0054
Loa Loa (eye worm) TK protein kinase 0.0036 0.0303 0.0482
Brugia malayi Immunoglobulin I-set domain containing protein 0.0115 0.1499 0.2379
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0002 0.5
Leishmania major alpha tubulin 0.0019 0.0054 0.1126
Echinococcus multilocularis tubulin alpha chain 0.0019 0.0054 0.0054
Schistosoma mansoni tyrosine kinase 0.0087 0.1069 0.1069
Echinococcus multilocularis hypothetical protein 0.0019 0.0054 0.0054
Loa Loa (eye worm) TK/ABL protein kinase 0.0237 0.3341 0.5307
Trichomonas vaginalis tubulin beta chain, putative 0.0019 0.0054 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0051 0.0524 0.0524
Plasmodium vivax tubulin alpha chain, putative 0.0019 0.0054 0.1126
Schistosoma mansoni tyrosine kinase 0.0055 0.0595 0.0595
Schistosoma mansoni tyrosine kinase 0.0055 0.0595 0.0595
Schistosoma mansoni tyrosine kinase 0.0051 0.0524 0.0524
Schistosoma mansoni tyrosine kinase 0.0091 0.1132 0.1132
Echinococcus granulosus tubulin alpha 1C chain 0.0019 0.0054 0.0054
Treponema pallidum NADH oxidase 0.0016 0.0002 0.5
Echinococcus granulosus fibroblast growth factor receptor 4 0.0112 0.145 0.145
Schistosoma mansoni alpha tubulin 0.0019 0.0054 0.0054
Echinococcus multilocularis 0.005 0.0521 0.0521
Plasmodium falciparum alpha tubulin 2 0.0019 0.0054 0.1126
Echinococcus granulosus tyrosine protein kinase Src42A 0.0039 0.0352 0.0352
Echinococcus granulosus peroxisome assembly protein 26 0.0019 0.0054 0.0054
Schistosoma mansoni tyrosine kinase 0.0087 0.1069 0.1069
Toxoplasma gondii alpha tubulin TUBA1 0.0019 0.0054 0.1126
Schistosoma mansoni tyrosine kinase 0.0229 0.3229 0.3229
Brugia malayi Immunoglobulin I-set domain containing protein 0.0017 0.0014 0.0019
Echinococcus multilocularis tyrosine protein kinase Srms 0.0043 0.0415 0.0415
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0043 0.0415 0.0415
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.0002 0.5
Onchocerca volvulus 0.0432 0.6296 0.5
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0043 0.0415 0.0415
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0051 0.0524 0.0524
Leishmania major alpha tubulin 0.0019 0.0054 0.1126
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0461 1
Schistosoma mansoni tyrosine kinase 0.0019 0.0043 0.0043
Brugia malayi Tubulin alpha-2 chain 0.0019 0.0054 0.0082
Brugia malayi SRC-1 0.0051 0.0524 0.083
Echinococcus granulosus tubulin alpha chain 0.0019 0.0054 0.0054
Mycobacterium tuberculosis Probable dehydrogenase 0.0106 0.136 0.8837
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0106 0.136 0.8837
Echinococcus granulosus tyrosine protein kinase Fyn 0.0051 0.0524 0.0524
Brugia malayi Tubulin alpha-2 chain 0.0019 0.0054 0.0082
Brugia malayi Tyrosine-protein kinase abl-1 0.0105 0.1346 0.2135
Echinococcus multilocularis epidermal growth factor receptor 0.0166 0.2272 0.2272
Echinococcus granulosus epidermal growth factor receptor 0.0166 0.2272 0.2272
Loa Loa (eye worm) TK/INSR protein kinase 0.0055 0.0595 0.0945
Leishmania major alpha tubulin 0.0019 0.0054 0.1126
Echinococcus multilocularis microtubule associated protein 2 0.0677 1 1
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0051 0.0524 0.0524
Loa Loa (eye worm) TK/EGFR protein kinase 0.0166 0.2272 0.3608
Echinococcus multilocularis epidermal growth factor receptor 0.0091 0.1132 0.1132
Leishmania major alpha tubulin 0.0019 0.0054 0.1126
Schistosoma mansoni tyrosine kinase 0.0091 0.1132 0.1132
Schistosoma mansoni tyrosine kinase 0.0019 0.0043 0.0043
Brugia malayi Furin-like cysteine rich region family protein 0.0166 0.2272 0.3606
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0051 0.0524 0.0524
Echinococcus granulosus tyrosine protein kinase Fyn 0.0051 0.0524 0.0524
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0051 0.0524 0.0524
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0002 0.0002
Echinococcus granulosus insulin receptor 0.0055 0.0595 0.0595
Leishmania major alpha tubulin 0.0019 0.0054 0.1126
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0051 0.0524 0.0524
Trypanosoma cruzi alpha tubulin, putative 0.0019 0.0054 0.1126
Brugia malayi tubulin alpha chain - mouse 0.0019 0.0054 0.0082
Echinococcus granulosus tubulin alpha chain 0.0019 0.0054 0.0054
Echinococcus multilocularis tubulin alpha chain 0.0019 0.0054 0.0054
Echinococcus multilocularis tubulin alpha 1C chain 0.0019 0.0054 0.0054
Echinococcus granulosus sodium bile acid cotransporter 0.0432 0.6296 0.6296
Schistosoma mansoni tyrosine kinase 0.0112 0.145 0.145
Loa Loa (eye worm) TK protein kinase 0.0043 0.0415 0.066
Loa Loa (eye worm) tubulin alpha chain 0.0019 0.0054 0.0085
Schistosoma mansoni alpha tubulin 0.0019 0.0054 0.0054
Loa Loa (eye worm) alpha-tubulin 0.0019 0.0054 0.0085
Echinococcus granulosus tyrosine protein kinase Src64B 0.0051 0.0524 0.0524
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0051 0.0524 0.0524
Trichomonas vaginalis tubulin beta chain, putative 0.0019 0.0054 1
Trypanosoma brucei alpha tubulin 0.0019 0.0054 0.1126
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0461 0.0461
Loa Loa (eye worm) SRC-1 0.0051 0.0524 0.0833
Giardia lamblia Alpha-tubulin 0.0019 0.0054 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0019 0.0054 0.0054
Echinococcus multilocularis tyrosine protein kinase Abl 0.0105 0.1346 0.1346
Echinococcus granulosus Tubulin alpha 1 chain 0.0019 0.0054 0.0054
Echinococcus multilocularis Tubulin alpha 1 chain 0.0019 0.0054 0.0054
Loa Loa (eye worm) TK protein kinase 0.0115 0.1499 0.2381
Leishmania major trypanothione reductase 0.0046 0.0461 1
Loa Loa (eye worm) tubulin alpha-2 chain 0.0019 0.0054 0.0085
Loa Loa (eye worm) hypothetical protein 0.0432 0.6296 1
Brugia malayi Tyrosine-protein kinase abl-1 0.0139 0.1864 0.2958
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0112 0.145 0.145
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0461 0.0461
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0091 0.1132 0.1132
Brugia malayi Protein kinase domain containing protein 0.0055 0.0595 0.0942
Trypanosoma brucei alpha tubulin 0.0019 0.0054 0.1126
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0112 0.145 0.145
Leishmania major alpha tubulin 0.0019 0.0054 0.1126
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0461 0.2985
Echinococcus granulosus tubulin alpha 1C chain 0.0019 0.0054 0.0054
Echinococcus multilocularis tyrosine protein kinase Blk 0.0043 0.0415 0.0415
Schistosoma mansoni tyrosine kinase 0.0051 0.0524 0.0524
Echinococcus granulosus epidermal growth factor receptor 0.0091 0.1132 0.1132
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0106 0.136 0.8837
Brugia malayi Sodium Bile acid symporter family protein 0.0432 0.6296 1
Plasmodium falciparum thioredoxin reductase 0.0046 0.0461 1
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0237 0.3341 0.3341
Leishmania major alpha tubulin 0.0019 0.0054 0.1126
Echinococcus multilocularis tubulin alpha 3 chain 0.0019 0.0054 0.0054
Echinococcus multilocularis tubulin alpha 1C chain 0.0019 0.0054 0.0054
Echinococcus granulosus sodium bile acid cotransporter 0.0432 0.6296 0.6296
Echinococcus granulosus tyrosine protein kinase Blk 0.0043 0.0415 0.0415
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0002 0.5
Schistosoma mansoni alpha tubulin 0.0019 0.0054 0.0054
Echinococcus multilocularis tubulin alpha chain 0.0019 0.0054 0.0054
Echinococcus multilocularis sodium bile acid cotransporter 0.0432 0.6296 0.6296
Schistosoma mansoni microtubule-associated protein tau 0.0677 1 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0051 0.0524 0.0524
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.0002 0.5
Echinococcus multilocularis sodium bile acid cotransporter 0.0432 0.6296 0.6296
Leishmania major alpha tubulin 0.0019 0.0054 0.1126
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0019 0.0043 0.0043
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0019 0.0043 0.0043
Echinococcus multilocularis tubulin alpha chain 0.0019 0.0054 0.0054
Trichomonas vaginalis tubulin epsilon chain, putative 0.0019 0.0054 1
Trichomonas vaginalis tubulin beta chain, putative 0.0019 0.0054 1
Loa Loa (eye worm) glutathione reductase 0.0046 0.0461 0.0731
Echinococcus granulosus Tubulin alpha 1 chain 0.0019 0.0054 0.0054
Schistosoma mansoni tubulin subunit alpha 0.0019 0.0054 0.0054
Schistosoma mansoni tyrosine kinase 0.0087 0.1069 0.1069
Trypanosoma brucei alpha tubulin 0.0019 0.0054 0.1126
Leishmania major alpha tubulin 0.0019 0.0054 0.1126
Trichomonas vaginalis tubulin epsilon chain, putative 0.0019 0.0054 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0118 0.1538 1
Leishmania major alpha tubulin 0.0019 0.0054 0.1126
Schistosoma mansoni sodium-bile acid cotransporter related 0.0175 0.241 0.241
Echinococcus multilocularis tubulin alpha 3 chain 0.0019 0.0054 0.0054
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0017 0.0014 0.0022
Schistosoma mansoni sodium-bile acid cotransporter related 0.0432 0.6296 0.6296
Mycobacterium tuberculosis Probable oxidoreductase 0.0118 0.1538 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0051 0.0524 0.0524
Loa Loa (eye worm) hypothetical protein 0.009 0.1125 0.1786
Echinococcus multilocularis tubulin alpha chain 0.0019 0.0054 0.0054
Plasmodium falciparum alpha tubulin 1 0.0019 0.0054 0.1126
Brugia malayi glutathione reductase 0.0046 0.0461 0.0729
Schistosoma mansoni tyrosine kinase 0.0166 0.2272 0.2272

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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