Detailed information for compound 1768807

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 437.872 | Formula: C19H17ClFN3O4S
  • H donors: 2 H acceptors: 4 LogP: 4.05 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1cc(C(=O)NNS(=O)(=O)c2ccc(cc2)C)c(=O)c2c1cc(Cl)c(c2)F
  • InChi: 1S/C19H17ClFN3O4S/c1-3-24-10-14(18(25)13-8-16(21)15(20)9-17(13)24)19(26)22-23-29(27,28)12-6-4-11(2)5-7-12/h4-10,23H,3H2,1-2H3,(H,22,26)
  • InChiKey: HOWKFTYNXANXCL-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
Loa Loa (eye worm) hypothetical protein 0.0063 0.0119 0.0117
Brugia malayi hypothetical protein 0.0063 0.0119 0.0092
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.0015 0.5
Brugia malayi Tyrosine-protein kinase abl-1 0.0135 0.0442 0.0416
Loa Loa (eye worm) TK/EGFR protein kinase 0.0149 0.0502 0.05
Loa Loa (eye worm) hypothetical protein 0.0269 0.1041 0.104
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0063 0.0119 0.0347
Brugia malayi SRC-1 0.0069 0.0148 0.0121
Loa Loa (eye worm) hypothetical protein 0.0108 0.0321 0.0318
Loa Loa (eye worm) hypothetical protein 0.0269 0.1041 0.104
Loa Loa (eye worm) SRC-1 0.0069 0.0148 0.0146
Schistosoma mansoni vesicular amine transporter 0.0066 0.0131 0.1041
Echinococcus granulosus epidermal growth factor receptor 0.0149 0.0502 0.0946
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0069 0.0148 0.0432
Schistosoma mansoni tyrosine kinase 0.0243 0.0925 0.7827
Echinococcus granulosus choline O acetyltransferase 0.0216 0.0803 0.1524
Schistosoma mansoni voltage-gated potassium channel 0.0046 0.0045 0.03
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.049 0.2028 0.4676
Echinococcus granulosus insulin growth factor 1 receptor beta 0.03 0.1179 0.2245
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0149 0.0502 0.0946
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0216 0.0803 0.0778
Schistosoma mansoni tyrosine kinase 0.0164 0.057 0.4791
Echinococcus multilocularis tyrosine protein kinase Srms 0.0062 0.0117 0.0341
Loa Loa (eye worm) TK/INSR protein kinase 0.03 0.1179 0.1178
Onchocerca volvulus 0.0442 0.1812 0.9146
Echinococcus multilocularis tyrosine protein kinase ABL1 0.025 0.0957 0.2796
Onchocerca volvulus 0.0269 0.1041 0.5065
Schistosoma mansoni tyrosine kinase 0.0149 0.0502 0.4206
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0042 0.0027 0.0025
Loa Loa (eye worm) TK/ALK protein kinase 0.2272 0.9997 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0176 0.0623 0.0597
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0062 0.0117 0.0341
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0042 0.0027 0.008
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.0802 0.3424 1
Echinococcus granulosus Immunoglobulin 0.0063 0.0119 0.0212
Echinococcus multilocularis Immunoglobulin 0.0063 0.0119 0.0347
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0216 0.0803 0.0801
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0164 0.057 0.1665
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0164 0.057 0.1077
Loa Loa (eye worm) hypothetical protein 0.0152 0.0515 0.0513
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0063 0.0119 0.0935
Schistosoma mansoni cell adhesion molecule 0.0073 0.0162 0.1306
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.03 0.1179 0.3444
Onchocerca volvulus 0.0216 0.0803 0.3802
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0038 0.001 0.0003
Echinococcus granulosus c src tyrosine kinase 0.0038 0.001 0.0003
Brugia malayi plexin A 0.0065 0.013 0.0103
Brugia malayi Immunoglobulin I-set domain containing protein 0.0063 0.0119 0.0092
Schistosoma mansoni tyrosine kinase 0.0124 0.0393 0.3278
Schistosoma mansoni choline o-acyltransferase 0.0216 0.0803 0.6781
Loa Loa (eye worm) hypothetical protein 0.0063 0.0119 0.0117
Echinococcus granulosus twitchin 0.0075 0.0172 0.0314
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0042 0.0027 0.0037
Onchocerca volvulus Tyrosine kinase homolog 0.0478 0.1974 1
Leishmania major carnitine palmitoyltransferase-like protein 0.049 0.2028 0.4676
Schistosoma mansoni tyrosine kinase 0.03 0.1179 1
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.0802 0.3424 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0119 0.0117
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0069 0.0148 0.0268
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0164 0.057 0.1665
Echinococcus multilocularis roundabout 2 0.0084 0.0215 0.0628
Echinococcus granulosus macrophage colony stimulating factor 1 receptor 0.1205 0.5225 1
Schistosoma mansoni hypothetical protein 0.0269 0.1041 0.8821
Echinococcus multilocularis choline O acetyltransferase 0.0216 0.0803 0.2345
Loa Loa (eye worm) choline O-acetyltransferase 0.0216 0.0803 0.0801
Loa Loa (eye worm) hypothetical protein 0.1583 0.6913 0.6915
Echinococcus multilocularis insulin receptor 0.03 0.1179 0.3444
Echinococcus granulosus neuroglian 0.0075 0.0172 0.0314
Loa Loa (eye worm) hypothetical protein 0.0269 0.1041 0.104
Echinococcus multilocularis MAM 0.0269 0.1041 0.3042
Loa Loa (eye worm) hypothetical protein 0.0084 0.0215 0.0213
Brugia malayi Protein kinase domain containing protein 0.0176 0.0624 0.0598
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.0015 0.5
Echinococcus multilocularis plexin a4 0.0065 0.013 0.038
Schistosoma mansoni tyrosine kinase 0.0046 0.0042 0.0279
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.1583 0.6913 0.6905
Echinococcus granulosus fibroblast growth factor receptor 4 0.0164 0.057 0.1077
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0802 0.3424 1
Loa Loa (eye worm) hypothetical protein 0.1979 0.8684 0.8687
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.049 0.2028 1
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0802 0.3424 1
Echinococcus granulosus tyrosine protein kinase Src64B 0.0069 0.0148 0.0268
Loa Loa (eye worm) hypothetical protein 0.0063 0.0119 0.0117
Echinococcus granulosus plexin a4 0.0065 0.013 0.0234
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0063 0.0119 0.0935
Echinococcus granulosus tyrosine protein kinase Lyn 0.0069 0.0148 0.0268
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.049 0.2028 0.2027
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0069 0.0148 0.0432
Echinococcus granulosus insulin receptor 0.03 0.1179 0.2245
Echinococcus granulosus MAM 0.0269 0.1041 0.1981
Schistosoma mansoni tyrosine kinase 0.0069 0.0148 0.1183
Loa Loa (eye worm) TK protein kinase 0.0176 0.0623 0.0621
Echinococcus multilocularis neuroglian 0.0075 0.0172 0.0502
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0539 0.2246 0.2245
Loa Loa (eye worm) hypothetical protein 0.0073 0.0162 0.016
Echinococcus multilocularis tyrosine protein kinase Abl 0.0122 0.0384 0.1122
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0069 0.0148 0.0432
Echinococcus granulosus tyrosine kinase 0.0062 0.0117 0.0208
Loa Loa (eye worm) hypothetical protein 0.0216 0.0803 0.0801
Brugia malayi Plexin repeat family protein 0.0055 0.0085 0.0058
Echinococcus multilocularis epidermal growth factor receptor 0.0149 0.0502 0.1465
Loa Loa (eye worm) plexin A 0.0065 0.013 0.0128
Schistosoma mansoni voltage-gated potassium channel 0.0046 0.0045 0.03
Loa Loa (eye worm) hypothetical protein 0.0063 0.0119 0.0117
Brugia malayi Immunoglobulin I-set domain containing protein 0.0539 0.2246 0.2224
Echinococcus granulosus tyrosine protein kinase Fyn 0.0069 0.0148 0.0268
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0069 0.0148 0.0432
Echinococcus multilocularis c src tyrosine kinase 0.0038 0.001 0.0028
Schistosoma mansoni tyrosine kinase 0.0124 0.0393 0.3278
Schistosoma mansoni tyrosine kinase 0.03 0.1179 1
Echinococcus granulosus tyrosine protein kinase HCK 0.0055 0.0085 0.0146
Echinococcus granulosus roundabout 2 0.0084 0.0215 0.0397
Onchocerca volvulus 0.0216 0.0803 0.3802
Brugia malayi Fibronectin type III domain containing protein 0.0063 0.0119 0.0092
Echinococcus granulosus tyrosine protein kinase Fyn 0.0069 0.0148 0.0268
Schistosoma mansoni hypothetical protein 0.0269 0.1041 0.8821
Echinococcus granulosus tyrosine protein kinase Blk 0.0062 0.0117 0.0208
Entamoeba histolytica protein kinase, putative 0.0055 0.0085 0.5
Loa Loa (eye worm) hypothetical protein 0.0084 0.0215 0.0213
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0069 0.0148 0.0432
Loa Loa (eye worm) TK/ABL protein kinase 0.025 0.0957 0.0956
Echinococcus granulosus tyrosine protein kinase Fyn 0.0069 0.0148 0.0268
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.049 0.2028 0.3873
Echinococcus multilocularis Immunoglobulin 0.0063 0.0119 0.0347
Schistosoma mansoni choline o-acyltransferase 0.0216 0.0803 0.6781
Echinococcus multilocularis tyrosine protein kinase HCK 0.0055 0.0085 0.0247
Echinococcus granulosus tyrosine protein kinase Src42A 0.0069 0.0148 0.0268
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.0802 0.3424 0.6548
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.049 0.2028 0.5924
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0069 0.0148 0.0432
Brugia malayi Choline O-acetyltransferase 0.0216 0.0803 0.0778
Schistosoma mansoni tyrosine kinase 0.0149 0.0502 0.4206
Brugia malayi Choline O-acetyltransferase 0.0216 0.0803 0.0778
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0062 0.0117 0.0208
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0069 0.0148 0.0432
Schistosoma mansoni plexin 0.0055 0.0085 0.0642
Brugia malayi hypothetical protein 0.0269 0.1041 0.1017
Brugia malayi Tyrosine-protein kinase abl-1 0.0122 0.0384 0.0358
Loa Loa (eye worm) TK protein kinase 0.0062 0.0117 0.0114
Echinococcus granulosus tyrosine protein kinase ABL1 0.025 0.0957 0.182
Echinococcus multilocularis epidermal growth factor receptor 0.0149 0.0502 0.1465
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0073 0.0162 0.0296
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0038 0.001 0.0028
Loa Loa (eye worm) TK protein kinase 0.0055 0.0085 0.0082
Schistosoma mansoni tyrosine kinase 0.0124 0.0393 0.3278
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0069 0.0148 0.0432
Onchocerca volvulus 0.0269 0.1041 0.5065
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0038 0.0008 0.0024
Schistosoma mansoni nephrin 0.0075 0.0172 0.1386
Brugia malayi Furin-like cysteine rich region family protein 0.0149 0.0502 0.0476
Brugia malayi protein-tyrosine kinase 0.0062 0.0117 0.009
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0069 0.0148 0.0432
Echinococcus multilocularis tyrosine protein kinase Blk 0.0062 0.0117 0.0341
Loa Loa (eye worm) hypothetical protein 0.0063 0.0119 0.0117
Schistosoma mansoni tyrosine kinase 0.0149 0.0502 0.4206
Echinococcus granulosus epidermal growth factor receptor 0.0149 0.0502 0.0946
Onchocerca volvulus 0.0216 0.0803 0.3802
Loa Loa (eye worm) hypothetical protein 0.0055 0.0085 0.0082
Brugia malayi Protein kinase domain containing protein 0.03 0.1179 0.1155
Schistosoma mansoni tyrosine kinase 0.0069 0.0148 0.1183
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0069 0.0148 0.0268
Onchocerca volvulus 0.0216 0.0803 0.3802
Echinococcus granulosus defective proboscis extension response 0.0063 0.0119 0.0212
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.049 0.2028 0.2007

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 0.0625 ug ml-1 Antibacterial activity against enterotoxigenic Escherichia coli by disc diffusion method ChEMBL. 23933534

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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