Detailed information for compound 1762413

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 508.489 | Formula: C23H20F4N4O3S
  • H donors: 1 H acceptors: 4 LogP: 4.27 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: N#Cc1c(c2ccc(cn2)S(=O)(=O)NC2CC(C2)(F)F)n(c2c1ccc(c2)OC(F)F)C1CCC1
  • InChi: 1S/C23H20F4N4O3S/c24-22(25)34-15-4-6-17-18(11-28)21(31(20(17)8-15)14-2-1-3-14)19-7-5-16(12-29-19)35(32,33)30-13-9-23(26,27)10-13/h4-8,12-14,22,30H,1-3,9-10H2
  • InChiKey: RXOMKXDPCBUPSM-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 aurora kinase A 0.0664 1 1
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0021 0.0056 0.0009
Schistosoma mansoni cytochrome P450 0.0118 0.1546 0.1504
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0118 0.1546 0.5
Echinococcus granulosus tyrosine protein kinase Src64B 0.0128 0.1711 0.1672
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0118 0.1546 0.5
Onchocerca volvulus 0.0021 0.0056 1
Onchocerca volvulus 0.0021 0.0056 1
Trypanosoma brucei aurora B kinase 0.0664 1 1
Echinococcus granulosus tyrosine kinase 0.0113 0.1473 0.1433
Loa Loa (eye worm) hypothetical protein 0.0031 0.0208 0.0208
Entamoeba histolytica protein kinase domain containing protein 0.0664 1 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0128 0.1711 0.1665
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0118 0.1546 0.5
Echinococcus granulosus tyrosine protein kinase Src42A 0.0128 0.1711 0.1672
Brugia malayi Protein kinase domain containing protein 0.0021 0.0056 0.0056
Loa Loa (eye worm) TK/FER protein kinase 0.0021 0.0056 0.0056
Echinococcus granulosus tyrosine protein kinase Fyn 0.0128 0.1711 0.1672
Echinococcus multilocularis aurora kinase A 0.0664 1 1
Trichomonas vaginalis AGC family protein kinase 0.0664 1 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0202 0.2855 0.1549
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0128 0.1711 0.1665
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0118 0.1546 0.5
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0118 0.1546 0.5
Trichomonas vaginalis AGC family protein kinase 0.0664 1 0.5
Schistosoma mansoni protein kinase 0.0664 1 1
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0118 0.1546 0.5
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0037 0.0293 0.0239
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0109 0.1409 0.1361
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0664 1 1
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0031 0.0208 0.0208
Loa Loa (eye worm) TK/FER protein kinase 0.0021 0.0056 0.0056
Schistosoma mansoni tyrosine kinase 0.0021 0.0056 0.0006
Loa Loa (eye worm) SRC-1 0.0128 0.1711 0.1711
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0128 0.1711 0.1665
Schistosoma mansoni tyrosine kinase 0.0037 0.0293 0.0245
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0021 0.0056 0.0002
Toxoplasma gondii aurora kinase 0.0664 1 1
Entamoeba histolytica protein kinase , putative 0.0664 1 1
Onchocerca volvulus 0.0021 0.0056 1
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0113 0.1473 0.1433
Trichomonas vaginalis AGC family protein kinase 0.0664 1 0.5
Echinococcus multilocularis growth factor receptor bound protein 2 0.0031 0.0208 0.0153
Loa Loa (eye worm) TK/FER protein kinase 0.0021 0.0056 0.0056
Schistosoma mansoni tyrosine kinase 0.0021 0.0056 0.0006
Brugia malayi Cytochrome P450 family protein 0.0317 0.4633 0.4633
Echinococcus granulosus tyrosine protein kinase Fyn 0.0128 0.1711 0.1672
Plasmodium falciparum serine/threonine protein kinase, putative 0.0664 1 0.5
Entamoeba histolytica protein kinase, putative 0.0664 1 1
Schistosoma mansoni tyrosine kinase 0.0128 0.1711 0.167
Schistosoma mansoni hypothetical protein 0.0118 0.1546 0.1504
Loa Loa (eye worm) TK protein kinase 0.0113 0.1473 0.1473
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0118 0.1546 0.5
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0118 0.1546 0.5
Schistosoma mansoni tyrosine kinase 0.0128 0.1711 0.167
Brugia malayi Cytochrome P450 family protein 0.0118 0.1546 0.1546
Echinococcus granulosus tyrosine protein kinase Blk 0.0113 0.1473 0.1433
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0128 0.1711 0.1665
Echinococcus granulosus cytochrome P450 2K1 0.0118 0.1546 0.1506
Onchocerca volvulus 0.0021 0.0056 1
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0118 0.1546 0.5
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0109 0.1409 0.1361
Echinococcus granulosus tyrosine protein kinase Fyn 0.0128 0.1711 0.1672
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0128 0.1711 0.1672
Trypanosoma brucei cytochrome P450, putative 0.0202 0.2855 0.1549
Schistosoma mansoni adapter molecule crk 0.0031 0.0208 0.0159
Brugia malayi SH2 domain containing protein 0.0021 0.0056 0.0056
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0118 0.1546 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0113 0.1473 0.1426
Loa Loa (eye worm) cytochrome P450 family protein 0.0202 0.2855 0.2855
Loa Loa (eye worm) TK/FER protein kinase 0.0021 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.0085 0.1036 0.1036
Echinococcus multilocularis 0.0118 0.1546 0.1498
Mycobacterium leprae Conserved hypothetical protein 0.0118 0.1546 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0021 0.0056 0.0056
Echinococcus granulosus c src tyrosine kinase 0.0037 0.0293 0.0248
Echinococcus granulosus fibroblast growth factor receptor 4 0.0109 0.1409 0.1369
Onchocerca volvulus 0.0021 0.0056 1
Brugia malayi Protein kinase domain containing protein 0.0021 0.0056 0.0056
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0118 0.1546 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0112 0.1457 0.1457
Loa Loa (eye worm) TK/FER protein kinase 0.0021 0.0056 0.0056
Brugia malayi hypothetical protein 0.0021 0.0056 0.0056
Brugia malayi Cytochrome P450 family protein 0.0202 0.2855 0.2855
Echinococcus multilocularis tyrosine protein kinase Blk 0.0113 0.1473 0.1426
Brugia malayi protein-tyrosine kinase 0.0113 0.1473 0.1473
Entamoeba histolytica protein kinase, putative 0.0097 0.1229 0.1182
Echinococcus granulosus tyrosine kinase 0.0021 0.0056 0.0009
Loa Loa (eye worm) AUR protein kinase 0.0664 1 1
Brugia malayi Protein kinase domain containing protein 0.0021 0.0056 0.0056
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0118 0.1546 0.5
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0118 0.1546 0.5
Trypanosoma cruzi aurora B kinase, putative 0.0664 1 1
Brugia malayi SH2 domain containing protein 0.0021 0.0056 0.0056
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0128 0.1711 0.1665
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0128 0.1711 0.1665
Loa Loa (eye worm) AUR protein kinase 0.0664 1 1
Loa Loa (eye worm) TK/ABL protein kinase 0.0021 0.0056 0.0056
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0664 1 0.5
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0109 0.1409 0.1369
Loa Loa (eye worm) hypothetical protein 0.0021 0.0056 0.0056
Mycobacterium leprae putative cytochrome p450 0.0118 0.1546 0.5
Brugia malayi serine/threonine-protein kinase 6 0.0664 1 1
Giardia lamblia Aurora kinase 0.0664 1 0.5
Schistosoma mansoni tyrosine kinase 0.0109 0.1409 0.1367
Echinococcus multilocularis tyrosine protein kinase Srms 0.0113 0.1473 0.1426
Brugia malayi SRC-1 0.0128 0.1711 0.1711
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0118 0.1546 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0021 0.0056 0.0056
Echinococcus granulosus tyrosine protein kinase ABL1 0.0021 0.0056 0.0009
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0118 0.1546 0.5
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0031 0.0208 0.0208
Leishmania major protein kinase, putative 0.0664 1 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0202 0.2855 1
Loa Loa (eye worm) TK/FER protein kinase 0.0021 0.0056 0.0056
Trichomonas vaginalis AGC family protein kinase 0.0664 1 0.5
Echinococcus granulosus tyrosine protein kinase shark 0.0021 0.0056 0.0009
Echinococcus granulosus NCK adaptor protein 0.0031 0.0208 0.0162
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0128 0.1711 0.1665
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0118 0.1546 0.5
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0128 0.1711 0.1665
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0118 0.1546 0.5
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0664 1 1
Brugia malayi Variant SH3 domain containing protein 0.0031 0.0208 0.0208
Echinococcus multilocularis c src tyrosine kinase 0.0037 0.0293 0.0239
Brugia malayi Variant SH3 domain containing protein 0.0031 0.0208 0.0208
Onchocerca volvulus 0.0021 0.0056 1
Schistosoma mansoni serine/threonine protein kinase 0.0664 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0202 0.2855 0.2855
Brugia malayi serine/threonine kinase 12 0.0664 1 1
Entamoeba histolytica protein kinase, putative 0.0664 1 1
Brugia malayi Cytochrome P450 family protein 0.0202 0.2855 0.2855
Loa Loa (eye worm) TK/FER protein kinase 0.0021 0.0056 0.0056
Echinococcus granulosus tyrosine protein kinase Lyn 0.0134 0.1795 0.1757
Brugia malayi Sex muscle abnormal protein 5 0.0031 0.0208 0.0208
Echinococcus granulosus tyrosine protein kinase HCK 0.0097 0.1229 0.1188
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0118 0.1546 0.5
Schistosoma mansoni nck2/grb4 0.0031 0.0208 0.0159
Schistosoma mansoni growth factor receptor-bound protein 0.0031 0.0208 0.0159
Schistosoma mansoni growth factor receptor-bound protein 0.0031 0.0208 0.0159
Loa Loa (eye worm) cytochrome P450 0.0118 0.1546 0.1546
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0128 0.1711 0.1665
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0118 0.1546 0.5
Echinococcus multilocularis tyrosine protein kinase HCK 0.0097 0.1229 0.118
Echinococcus granulosus tyrosine protein kinase Srms 0.0021 0.0056 0.0009
Schistosoma mansoni tyrosine kinase 0.0037 0.0293 0.0245
Brugia malayi Protein kinase domain containing protein 0.0021 0.0056 0.0056
Brugia malayi Tyrosine-protein kinase abl-1 0.0037 0.0293 0.0293
Loa Loa (eye worm) CYP4Cod1 0.0202 0.2855 0.2855
Brugia malayi cytochrome P450 0.0118 0.1546 0.1546
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0118 0.1546 0.5
Loa Loa (eye worm) TK protein kinase 0.0112 0.1457 0.1457
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0664 1 1
Loa Loa (eye worm) AUR protein kinase 0.0664 1 1
Echinococcus multilocularis tyrosine protein kinase Abl 0.0037 0.0293 0.0239
Echinococcus multilocularis NCK adaptor protein 0.0031 0.0208 0.0153
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0664 1 1
Leishmania major cytochrome p450-like protein 0.0202 0.2855 0.1549
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0128 0.1711 0.1672
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0107 0.1388 0.134
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0031 0.0208 0.0159
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0037 0.0293 0.0248
Brugia malayi Protein kinase domain containing protein 0.0021 0.0056 0.0056
Loa Loa (eye worm) TK protein kinase 0.0097 0.1229 0.1229
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0037 0.0293 0.0245
Echinococcus granulosus tyrosine protein kinase Src42A 0.0107 0.1388 0.1347
Echinococcus granulosus growth factor receptor bound protein 2 0.0031 0.0208 0.0162
Loa Loa (eye worm) TK/FER protein kinase 0.0021 0.0056 0.0056
Loa Loa (eye worm) cytochrome P450 family protein 0.0317 0.4633 0.4633
Trypanosoma cruzi cytochrome P450, putative 0.0202 0.2855 0.1549
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0664 1 1

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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