Detailed information for compound 1759278

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 462.238 | Formula: C19H15IN2O4
  • H donors: 1 H acceptors: 4 LogP: 3.43 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1c(C)nc(c2c1C(=O)C=C(C2=O)Nc1ccc(cc1)I)C
  • InChi: 1S/C19H15IN2O4/c1-9-15-17(16(10(2)21-9)19(25)26-3)14(23)8-13(18(15)24)22-12-6-4-11(20)5-7-12/h4-8,22H,1-3H3
  • InChiKey: FIHDMGODYVDZMI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 diuretic hormone 44 receptor GPRdih2 0.0018 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0018 0.0002 0.0002
Echinococcus granulosus plexin a4 0.0023 0.0052 0.0052
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0209 0.2058 0.2058
Echinococcus multilocularis contactin neuroglian septate junction protein 0.002 0.0017 0.0017
Brugia malayi hypothetical protein 0.0039 0.0227 0.0225
Brugia malayi Immunoglobulin I-set domain containing protein 0.002 0.0017 0.0015
Trichomonas vaginalis CMGC family protein kinase 0.0944 1 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.005 0.0341 0.0341
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.1291 0.1291
Echinococcus granulosus tyrosine protein kinase Fyn 0.005 0.0341 0.0341
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0944 1 0.5
Echinococcus multilocularis epidermal growth factor receptor 0.0162 0.156 0.156
Echinococcus granulosus mitogen activated protein kinase 3 0.0944 1 1
Schistosoma mansoni tyrosine kinase 0.0162 0.156 0.1559
Loa Loa (eye worm) hypothetical protein 0.0071 0.0573 0.0573
Echinococcus granulosus tyrosine protein kinase Fyn 0.005 0.0341 0.0341
Echinococcus granulosus twitchin 0.0054 0.039 0.039
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.005 0.0341 0.0341
Echinococcus multilocularis ephrin type A receptor 4 A 0.008 0.0667 0.0667
Schistosoma mansoni tyrosine kinase 0.0162 0.156 0.1559
Echinococcus multilocularis tyrosine protein kinase Src42A 0.005 0.0341 0.0341
Echinococcus multilocularis tyrosine protein kinase Fyn 0.005 0.0341 0.0341
Echinococcus multilocularis neuroglian 0.0046 0.0298 0.0298
Echinococcus multilocularis roundabout 2 0.002 0.0017 0.0017
Brugia malayi Immunoglobulin I-set domain containing protein 0.002 0.0017 0.0015
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0119 0.1088 0.1088
Brugia malayi Immunoglobulin I-set domain containing protein 0.0128 0.1188 0.1186
Loa Loa (eye worm) hypothetical protein 0.0053 0.038 0.038
Schistosoma mansoni hypothetical protein 0.0169 0.1633 0.1631
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0028 0.0109 0.0109
Loa Loa (eye worm) hypothetical protein 0.0039 0.023 0.023
Echinococcus multilocularis insulin receptor 0.0206 0.2029 0.2029
Echinococcus granulosus tyrosine protein kinase Src64B 0.005 0.0341 0.0341
Brugia malayi ephrin receptor 1 precursor 0.0042 0.0261 0.0259
Echinococcus granulosus neuroglian 0.002 0.0017 0.0017
Echinococcus granulosus titin 0.002 0.0027 0.0027
Brugia malayi SRC-1 0.005 0.0341 0.0339
Loa Loa (eye worm) hypothetical protein 0.008 0.0666 0.0666
Echinococcus multilocularis tyrosine protein kinase Srms 0.0045 0.0296 0.0296
Schistosoma mansoni cell adhesion molecule 0.002 0.0017 0.0015
Loa Loa (eye worm) hypothetical protein 0.0039 0.0227 0.0227
Echinococcus granulosus neuroglian 0.0046 0.0298 0.0298
Loa Loa (eye worm) hypothetical protein 0.0053 0.038 0.038
Loa Loa (eye worm) plexin A 0.0023 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0036 0.0196 0.0196
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0944 1 0.5
Schistosoma mansoni neuroglian 0.002 0.0017 0.0015
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.005 0.0341 0.0341
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.005 0.0341 0.0341
Schistosoma mansoni tyrosine kinase 0.0026 0.0082 0.008
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0002 0.0002
Echinococcus multilocularis plexin a4 0.0023 0.0052 0.0052
Onchocerca volvulus 0.0071 0.0573 0.2707
Schistosoma mansoni tyrosine kinase 0.0154 0.1466 0.1464
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0036 0.0198 0.0196
Schistosoma mansoni nephrin 0.0048 0.0327 0.0325
Brugia malayi Plexin repeat family protein 0.0019 0.0014 0.0012
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0944 1 0.5
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0119 0.1088 0.1088
Schistosoma mansoni serine/threonine protein kinase 0.0944 1 1
Schistosoma mansoni cell adhesion molecule 0.002 0.0017 0.0015
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.002 0.0017 0.0017
Schistosoma mansoni tyrosine kinase 0.0154 0.1466 0.1464
Schistosoma mansoni tyrosine kinase 0.005 0.0341 0.0339
Echinococcus granulosus fibroblast growth factor receptor 4 0.0119 0.1088 0.1088
Trichomonas vaginalis CMGC family protein kinase 0.0944 1 0.5
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0245 0.2453 0.2453
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0426 0.0424
Loa Loa (eye worm) TK/EPH protein kinase 0.0099 0.0877 0.0877
Echinococcus granulosus geminin 0.0169 0.1633 0.1633
Giardia lamblia Kinase, CMGC MAPK 0.0944 1 0.5
Echinococcus multilocularis roundabout 2 0.0056 0.0409 0.0409
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0002 0.0002
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0045 0.0296 0.0296
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.005 0.0341 0.0341
Loa Loa (eye worm) hypothetical protein 0.0039 0.0227 0.0227
Brugia malayi Immunoglobulin I-set domain containing protein 0.0245 0.2453 0.2452
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.002 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0036 0.0198 0.0198
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0944 1 0.5
Brugia malayi MH2 domain containing protein 0.0138 0.1291 0.129
Echinococcus multilocularis neuroglian 0.002 0.0017 0.0017
Echinococcus granulosus epidermal growth factor receptor 0.0162 0.156 0.156
Echinococcus granulosus tyrosine protein kinase HCK 0.0041 0.0251 0.0251
Echinococcus granulosus roundabout 2 0.002 0.0017 0.0017
Echinococcus multilocularis epidermal growth factor receptor 0.0239 0.2392 0.2392
Echinococcus granulosus epidermal growth factor receptor 0.0239 0.2392 0.2392
Echinococcus multilocularis Immunoglobulin 0.0036 0.0198 0.0198
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0036 0.0198 0.0198
Echinococcus multilocularis Immunoglobulin 0.0036 0.0198 0.0198
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0426 0.0426
Brugia malayi Protein kinase domain containing protein 0.0088 0.076 0.0758
Echinococcus granulosus ephrin type A receptor 4 A 0.008 0.0667 0.0667
Echinococcus granulosus tyrosine protein kinase Blk 0.0045 0.0296 0.0296
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.002 0.0017 0.0017
Schistosoma mansoni nephrin 0.002 0.0017 0.0015
Loa Loa (eye worm) TK protein kinase 0.0041 0.0251 0.0251
Echinococcus multilocularis tyrosine protein kinase HCK 0.0041 0.0251 0.0251
Loa Loa (eye worm) CAMK protein kinase 0.002 0.0027 0.0027
Schistosoma mansoni tyrosine kinase 0.0206 0.2029 0.2028
Schistosoma mansoni tyrosine kinase 0.005 0.0341 0.0339
Loa Loa (eye worm) hypothetical protein 0.0057 0.0426 0.0426
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0002 0.0002
Schistosoma mansoni tyrosine kinase 0.0239 0.2392 0.239
Schistosoma mansoni plexin 0.0019 0.0014 0.0012
Schistosoma mansoni cell adhesion molecule 0.0047 0.0309 0.0307
Entamoeba histolytica protein kinase, putative 0.0041 0.0251 0.5
Echinococcus granulosus mitogen activated protein kinase 0.0944 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0039 0.0227 0.0225
Onchocerca volvulus 0.0192 0.1884 0.9058
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0944 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0198 0.0198
Loa Loa (eye worm) hypothetical protein 0.0039 0.0227 0.0227
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0002 0.0002
Schistosoma mansoni tyrosine kinase 0.0154 0.1466 0.1464
Brugia malayi protein-tyrosine kinase 0.0045 0.0296 0.0295
Loa Loa (eye worm) hypothetical protein 0.0044 0.028 0.028
Echinococcus granulosus Immunoglobulin 0.0036 0.0198 0.0198
Echinococcus multilocularis geminin 0.0169 0.1633 0.1633
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0014
Schistosoma mansoni tyrosine kinase 0.0206 0.2029 0.2028
Echinococcus granulosus defective proboscis extension response 0.0036 0.0198 0.0198
Echinococcus multilocularis titin 0.002 0.0027 0.0027
Echinococcus multilocularis tyrosine protein kinase Blk 0.0045 0.0296 0.0296
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.023 0.0228
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0944 1 0.5
Onchocerca volvulus 0.002 0.0027 0.0064
Echinococcus granulosus contactin 0.002 0.0017 0.0017
Loa Loa (eye worm) TK/INSR protein kinase 0.0206 0.2029 0.2029
Echinococcus multilocularis tyrosine protein kinase Fyn 0.005 0.0341 0.0341
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0044 0.028 0.028
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.005 0.0341 0.0341
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.002 0.0017 0.0017
Echinococcus granulosus GPCR family 2 0.0018 0.0002 0.0002
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0944 1 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.002 0.0017 0.0015
Loa Loa (eye worm) TK protein kinase 0.0128 0.1188 0.1188
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.1291 0.1291
Schistosoma mansoni vesicular amine transporter 0.0036 0.0198 0.0196
Echinococcus multilocularis tyrosine protein kinase Fyn 0.005 0.0341 0.0341
Trichomonas vaginalis CMGC family protein kinase 0.0944 1 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0426 0.0424
Loa Loa (eye worm) TK/EGFR protein kinase 0.0239 0.2392 0.2392
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.002 0.0027 0.0027
Brugia malayi Furin-like cysteine rich region family protein 0.0239 0.2392 0.239
Echinococcus multilocularis mitogen activated protein kinase 3 0.0944 1 1
Onchocerca volvulus Tyrosine kinase homolog 0.021 0.2079 1
Echinococcus granulosus roundabout 2 0.0056 0.0409 0.0409
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.0296 0.0296
Schistosoma mansoni serine/threonine protein kinase 0.002 0.0027 0.0025
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0119 0.1088 0.1088
Loa Loa (eye worm) TK protein kinase 0.0045 0.0296 0.0296
Echinococcus multilocularis tyrosine protein kinase Fgr 0.005 0.0341 0.0341
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0036 0.0198 0.0196
Loa Loa (eye worm) hypothetical protein 0.002 0.0017 0.0017
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0944 1 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0058 0.0433 0.0433
Echinococcus multilocularis roundabout 2 0.002 0.0017 0.0017
Brugia malayi protein unc-22 0.002 0.0027 0.0025
Echinococcus multilocularis 0.0071 0.0568 0.0568
Echinococcus granulosus titin 0.002 0.0027 0.0027
Schistosoma mansoni hypothetical protein 0.0169 0.1633 0.1631
Echinococcus multilocularis GPCR, family 2 0.0018 0.0002 0.0002
Brugia malayi Immunoglobulin I-set domain containing protein 0.002 0.0027 0.0025
Schistosoma mansoni titin 0.002 0.0027 0.0025
Trypanosoma brucei protein kinase, putative 0.0944 1 0.5
Echinococcus granulosus roundabout 2 0.002 0.0017 0.0017
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.002 0.0017 0.0015
Loa Loa (eye worm) SRC-1 0.005 0.0341 0.0341
Echinococcus granulosus tyrosine protein kinase Src42A 0.005 0.0341 0.0341
Schistosoma mansoni ephrin receptor 0.008 0.0667 0.0665
Schistosoma mansoni tyrosine kinase 0.0119 0.1088 0.1086
Echinococcus granulosus tyrosine protein kinase Src42A 0.0037 0.0202 0.0202
Brugia malayi plexin A 0.0023 0.0052 0.005
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0037 0.0202 0.0202
Brugia malayi Fibronectin type III domain containing protein 0.0039 0.0227 0.0225
Loa Loa (eye worm) hypothetical protein 0.0036 0.0198 0.0198
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0209 0.2058 0.2058
Echinococcus granulosus tyrosine kinase 0.0045 0.0296 0.0296
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0162 0.156 0.156
Schistosoma mansoni hypothetical protein 0.0039 0.023 0.0228
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0944 1 0.5
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.002 0.0017 0.0017
Brugia malayi Protein kinase domain containing protein 0.0206 0.2029 0.2028
Trichomonas vaginalis CMGC family protein kinase 0.0944 1 0.5
Echinococcus multilocularis mitogen activated protein kinase 0.0944 1 1
Echinococcus granulosus insulin receptor 0.0206 0.2029 0.2029
Echinococcus multilocularis tyrosine protein kinase Src64B 0.005 0.0341 0.0341

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 6.3 ug ml-1 Antifungal activity against Cryptococcus neoformans KCCM 50564 after 1 day by two fold broth dilution method ChEMBL. 23453842
MIC (functional) = 12.5 ug ml-1 Antifungal activity against Candida albicans Berkout KCCM 50235 after 1 day by two fold broth dilution method ChEMBL. 23453842

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.