Detailed information for compound 1884482

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 345.366 | Formula: C17H13F2N3OS
  • H donors: 2 H acceptors: 2 LogP: 4.43 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(c(c1)F)c1sc(c(c1)C(=O)N)Nc1cccc(n1)C
  • InChi: 1S/C17H13F2N3OS/c1-9-3-2-4-15(21-9)22-17-12(16(20)23)8-14(24-17)11-6-5-10(18)7-13(11)19/h2-8H,1H3,(H2,20,23)(H,21,22)
  • InChiKey: AGPCFCFLRORQFL-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Janus kinase 2 Starlite/ChEMBL References

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
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0008 0.019 0.0314
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0008 0.019 0.0314
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0008 0.019 0.04
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0021 0.1514 0.1479
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0008 0.019 0.0149
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0008 0.019 0.04
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0008 0.0212 0.0171
Brugia malayi Cytochrome P450 family protein 0.0008 0.0228 0.0395
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0008 0.019 0.0314
Loa Loa (eye worm) TK/FER protein kinase 0.0008 0.0212 0.0446
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0008 0.019 0.0149
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0008 0.019 0.0149
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0008 0.019 0.0149
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0025 0.1902 0.1868
Loa Loa (eye worm) SH2 domain-containing protein 0.0006 0.0042 0.0088
Echinococcus multilocularis thyroid hormone receptor alpha 0.0008 0.019 0.0149
Schistosoma mansoni thyroid hormone receptor 0.0008 0.019 0.0149
Onchocerca volvulus 0.0008 0.0212 0.0361
Onchocerca volvulus 0.0025 0.1902 0.3943
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0008 0.019 0.0314
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0008 0.0212 0.0171
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0025 0.1902 0.1868
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0008 0.019 0.0149
Loa Loa (eye worm) TK/FER protein kinase 0.0008 0.0212 0.0446
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0008 0.019 0.0149
Brugia malayi hypothetical protein 0.0008 0.0212 0.0361
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0006 0.0042 0.0088
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0025 0.1902 0.1868
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0025 0.1902 0.1868
Brugia malayi Protein kinase domain containing protein 0.0008 0.0212 0.0361
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0006 0.0042 0.0088
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0008 0.019 0.04
Brugia malayi photoreceptor-specific nuclear receptor 0.0008 0.019 0.0314
Loa Loa (eye worm) TK/FER protein kinase 0.0008 0.0212 0.0446
Loa Loa (eye worm) hypothetical protein 0.0006 0.0042 0.0088
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0008 0.019 0.0149
Echinococcus granulosus tyrosine protein kinase ABL1 0.0008 0.0212 0.0171
Echinococcus granulosus tyrosine kinase 0.0008 0.0212 0.0171
Echinococcus granulosus tyrosine protein kinase Fyn 0.0008 0.0212 0.0171
Schistosoma mansoni tyrosine kinase 0.0008 0.0212 0.0171
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0008 0.019 0.04
Loa Loa (eye worm) hypothetical protein 0.0021 0.1514 0.3181
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0008 0.0212 1
Loa Loa (eye worm) hypothetical protein 0.0008 0.019 0.04
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0008 0.019 0.0314
Echinococcus multilocularis tyrosine protein kinase shark 0.0008 0.0212 0.0171
Brugia malayi SH2 domain containing protein 0.0008 0.0212 0.0361
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0008 0.0212 0.0171
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0008 0.0212 0.0171
Loa Loa (eye worm) hypothetical protein 0.0008 0.019 0.04
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0008 0.019 0.0149
Schistosoma mansoni RAR-like nuclear receptor 0.0008 0.019 0.0149
Brugia malayi Cytochrome P450 family protein 0.0008 0.0228 0.0395
Echinococcus granulosus p2X purinoceptor 4 0.0106 1 1
Onchocerca volvulus 0.0053 0.4761 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0008 0.019 0.04
Echinococcus multilocularis p2X purinoceptor 4 0.0106 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0008 0.019 0.0149
Echinococcus granulosus tyrosine protein kinase Srms 0.0008 0.0212 0.0171
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0006 0.0042 0.0088
Schistosoma mansoni tyrosine kinase 0.0008 0.0212 0.0171
Loa Loa (eye worm) hypothetical protein 0.0006 0.0042 0.0088
Schistosoma mansoni P2X receptor subunit 0.0106 1 1
Brugia malayi Protein kinase domain containing protein 0.0008 0.0212 0.0361
Brugia malayi protein-tyrosine kinase 0.0008 0.0212 0.0361
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0015 0.0917 1
Schistosoma mansoni hypothetical protein 0.0053 0.4761 0.4739
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0025 0.1902 0.3943
Echinococcus granulosus tyrosine protein kinase Fyn 0.0008 0.0212 0.0171
Brugia malayi Thrombospondin type 1 domain containing protein 0.0053 0.4761 1
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0008 0.0212 0.0171
Schistosoma mansoni P2X receptor subunit 0.0106 1 1
Echinococcus multilocularis tyrosine protein kinase Blk 0.0008 0.0212 0.0171
Loa Loa (eye worm) hypothetical protein 0.0006 0.0042 0.0088
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0008 0.019 0.0149
Loa Loa (eye worm) SH2 domain-containing protein 0.0006 0.0042 0.0088
Schistosoma mansoni retinoic acid receptor RXR 0.0008 0.019 0.0149
Echinococcus granulosus c src tyrosine kinase 0.0008 0.0212 0.0171
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.0015 0.0917 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0008 0.019 0.0149
Echinococcus multilocularis tyrosine kinase 0.0008 0.0212 0.0171
Leishmania major endonuclease G, putative 0.0015 0.0917 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0025 0.1902 0.1868
Onchocerca volvulus 0.0008 0.0212 0.0361
Brugia malayi Protein kinase domain containing protein 0.0008 0.0212 0.0361
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0008 0.019 0.0314
Loa Loa (eye worm) hypothetical protein 0.0025 0.1902 0.3996
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0008 0.019 0.0314
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0025 0.1902 0.1868
Schistosoma mansoni tyrosine kinase 0.0008 0.0212 0.0171
Echinococcus granulosus ectonucleotide 0.0021 0.1514 0.1479
Loa Loa (eye worm) TK/FER protein kinase 0.0008 0.0212 0.0446
Brugia malayi Tyrosine-protein kinase abl-1 0.0008 0.0212 0.0361
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0008 0.019 0.0314
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0025 0.1902 0.1868
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0008 0.0212 0.0171
Loa Loa (eye worm) cytochrome P450 family protein 0.0008 0.0228 0.0479
Brugia malayi nuclear hormone receptor 0.0008 0.019 0.0314
Echinococcus granulosus FTZ F1 alpha 0.0008 0.019 0.0149
Loa Loa (eye worm) hypothetical protein 0.0006 0.0042 0.0088
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0008 0.019 0.0149
Brugia malayi Steroid receptor seven-up type 2 0.0008 0.019 0.0314
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0008 0.0212 0.0171
Echinococcus multilocularis tyrosine protein kinase Abl 0.0008 0.0212 0.0171
Onchocerca volvulus Protein ultraspiracle homolog 0.0008 0.019 0.0314
Echinococcus granulosus tyrosine protein kinase Fyn 0.0008 0.0212 0.0171
Loa Loa (eye worm) TK/FER protein kinase 0.0008 0.0212 0.0446
Schistosoma mansoni steroid hormone receptor ad4bp 0.0008 0.019 0.0149
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0008 0.0212 0.0171
Loa Loa (eye worm) TK protein kinase 0.0008 0.0212 0.0446
Echinococcus granulosus tyrosine protein kinase shark 0.0008 0.0212 0.0171
Schistosoma mansoni P2X receptor subunit 0.0106 1 1
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.0015 0.0917 0.5
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0021 0.1514 0.1479
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0008 0.0212 0.0171
Brugia malayi ecdysteroid receptor 0.0008 0.019 0.0314
Echinococcus granulosus tyrosine protein kinase Src42A 0.0008 0.0212 0.0171
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0008 0.0212 0.0171
Loa Loa (eye worm) CYP4Cod1 0.0008 0.0228 0.0479
Loa Loa (eye worm) TK/FER protein kinase 0.0008 0.0212 0.0446
Onchocerca volvulus 0.0008 0.019 0.0314
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0008 0.0228 0.5
Echinococcus multilocularis tyrosine protein kinase Srms 0.0008 0.0212 0.0171
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0008 0.019 0.04
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0025 0.1902 0.1868
Onchocerca volvulus 0.0008 0.0212 0.0361
Onchocerca volvulus 0.0008 0.0212 0.0361
Loa Loa (eye worm) hypothetical protein 0.0025 0.1902 0.3996
Echinococcus granulosus Endonuclease G 0.0015 0.0917 0.0879
Loa Loa (eye worm) cytokine inducible SH2-containing protein 5 0.0006 0.0042 0.0088
Echinococcus granulosus tyrosine protein kinase Src64B 0.0008 0.0212 0.0171
Trypanosoma cruzi endonuclease G, putative 0.0015 0.0917 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0042 0.0088
Echinococcus multilocularis ecdysone induced protein 78C 0.0008 0.019 0.0149
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0008 0.019 0.0149
Loa Loa (eye worm) hypothetical protein 0.0008 0.019 0.04
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0025 0.1902 0.1868
Brugia malayi SH2 domain containing protein 0.0008 0.0212 0.0361
Loa Loa (eye worm) SH2 domain-containing protein 0.0006 0.0042 0.0088
Schistosoma mansoni tyrosine kinase 0.0008 0.0212 0.0171
Loa Loa (eye worm) hypothetical protein 0.0008 0.0212 0.0446
Loa Loa (eye worm) hypothetical protein 0.0006 0.0042 0.0088
Loa Loa (eye worm) hypothetical protein 0.0008 0.019 0.04
Loa Loa (eye worm) TK/FER protein kinase 0.0008 0.0212 0.0446
Echinococcus granulosus ecdysone induced protein 78C 0.0008 0.019 0.0149
Schistosoma mansoni P2X receptor subunit 0.0106 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0008 0.019 0.0314
Schistosoma mansoni thyroid hormone receptor 0.0008 0.019 0.0149
Loa Loa (eye worm) hypothetical protein 0.0006 0.0042 0.0088
Echinococcus multilocularis p2X purinoceptor 4 0.0106 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.1902 0.3996
Brugia malayi SRC-1 0.0008 0.0212 0.0361
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.0053 0.4761 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0008 0.019 0.0149
Loa Loa (eye worm) hypothetical protein 0.0006 0.0042 0.0088
Schistosoma mansoni endonuclease related 0.0015 0.0917 0.0879
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0008 0.019 0.0314
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0008 0.019 0.0314
Echinococcus granulosus tyrosine protein kinase Blk 0.0008 0.0212 0.0171
Schistosoma mansoni tyrosine kinase 0.0008 0.0212 0.0171
Loa Loa (eye worm) hypothetical protein 0.0008 0.019 0.04
Loa Loa (eye worm) hypothetical protein 0.0006 0.0042 0.0088
Trypanosoma cruzi endonuclease G, putative 0.0015 0.0917 1
Loa Loa (eye worm) TK/FER protein kinase 0.0008 0.0212 0.0446
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0015 0.0917 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0025 0.1902 0.1868
Echinococcus granulosus p2X purinoceptor 4 0.0106 1 1
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0008 0.0212 0.0171
Onchocerca volvulus 0.0025 0.1902 0.3943
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0008 0.0212 0.0171
Loa Loa (eye worm) hypothetical protein 0.0008 0.019 0.04
Loa Loa (eye worm) cytochrome P450 family protein 0.0008 0.0228 0.0479
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0008 0.0212 0.0171
Loa Loa (eye worm) hypothetical protein 0.0006 0.0042 0.0088
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0008 0.019 0.0149
Loa Loa (eye worm) hypothetical protein 0.0008 0.019 0.04
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0008 0.0212 0.0171
Echinococcus multilocularis p2X purinoceptor 4 0.0106 1 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0042 0.0088
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0008 0.019 0.0149
Brugia malayi nuclear receptor NHR-88 0.0008 0.019 0.0314
Trypanosoma brucei endonuclease G, putative 0.0015 0.0917 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0008 0.019 0.0149
Loa Loa (eye worm) hypothetical protein 0.0006 0.0042 0.0088
Loa Loa (eye worm) hypothetical protein 0.0006 0.0042 0.0088
Loa Loa (eye worm) TK/ABL protein kinase 0.0008 0.0212 0.0446
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0025 0.1902 0.1868
Onchocerca volvulus 0.0008 0.0212 0.0361
Brugia malayi Protein kinase domain containing protein 0.0008 0.0212 0.0361
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0008 0.0212 0.0171
Echinococcus multilocularis Endonuclease G 0.0015 0.0917 0.0879
Loa Loa (eye worm) TK/FER protein kinase 0.0008 0.0212 0.0446
Echinococcus multilocularis FTZ F1 alpha 0.0008 0.019 0.0149
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0008 0.0212 0.0171
Loa Loa (eye worm) steroid hormone receptor 0.0008 0.019 0.04
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0008 0.019 0.0314
Loa Loa (eye worm) STAT protein 0.0006 0.0042 0.0088
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0025 0.1902 0.1868
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0025 0.1902 0.1868
Loa Loa (eye worm) TK/FER protein kinase 0.0008 0.0212 0.0446
Schistosoma mansoni tyrosine kinase 0.0008 0.0212 0.0171
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0008 0.0212 0.0171
Onchocerca volvulus Bile acid receptor homolog 0.0008 0.019 0.0314
Brugia malayi Nuclear hormone receptor-like 1 0.0008 0.019 0.0314
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0025 0.1902 0.1868
Brugia malayi steroid hormone receptor 0.0008 0.019 0.0314
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0008 0.019 0.0314
Loa Loa (eye worm) hypothetical protein 0.0006 0.0042 0.0088
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0006 0.0042 0.0088
Echinococcus granulosus tyrosine protein kinase Lyn 0.0008 0.0212 0.0171
Trypanosoma brucei endonuclease G, putative 0.0015 0.0917 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0008 0.0212 0.0171
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0008 0.0212 0.0171
Echinococcus multilocularis ectonucleotide 0.0021 0.1514 0.1479
Trypanosoma brucei endonuclease G, putative 0.0015 0.0917 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0008 0.019 0.0314
Echinococcus multilocularis c src tyrosine kinase 0.0008 0.0212 0.0171
Brugia malayi endonuclease G, mitochondrial precursor 0.0015 0.0917 0.1855
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0008 0.019 0.0149
Onchocerca volvulus 0.0008 0.0212 0.0361
Loa Loa (eye worm) SRC-1 0.0008 0.0212 0.0446
Schistosoma mansoni coup transcription factor 0.0008 0.019 0.0149
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0008 0.019 0.04
Schistosoma mansoni nuclear hormone receptor 0.0008 0.019 0.0149
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0025 0.1902 0.1868
Echinococcus granulosus tyrosine kinase 0.0008 0.0212 0.0171
Loa Loa (eye worm) hypothetical protein 0.0006 0.0042 0.0088
Brugia malayi Protein kinase domain containing protein 0.0008 0.0212 0.0361
Loa Loa (eye worm) hypothetical protein 0.0008 0.019 0.04
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0006 0.0042 0.0088
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0008 0.019 0.0149

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 178 nM Inhibition of JAK2 (unknown origin) ChEMBL. 24666646
T1/2 (ADMET) = 24 min Half life in human liver microsomes ChEMBL. 24666646

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

1 literature reference was collected for this gene.

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