Detailed information for compound 1750185

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 363.357 | Formula: C22H15F2NO2
  • H donors: 1 H acceptors: 1 LogP: 4.92 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(c2c1occ2)c1ccc(c(c1)F)F)NCc1ccccc1
  • InChi: 1S/C22H15F2NO2/c23-19-9-6-15(12-20(19)24)16-7-8-18(21-17(16)10-11-27-21)22(26)25-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,25,26)
  • InChiKey: ZULDHMHHKDMSCU-UHFFFAOYSA-N  

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
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0021 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.1094 0.1094
Loa Loa (eye worm) amidase 0.0037 0.0536 0.0536
Brugia malayi Carboxylesterase family protein 0.0054 0.1094 0.1094
Echinococcus multilocularis fatty acid amide hydrolase 1 0.031 0.9677 0.9677
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0021 0 0.5
Loa Loa (eye worm) hypothetical protein 0.031 0.9677 0.9677
Trichomonas vaginalis spcc417.12 protein, putative 0.0054 0.1094 1
Trypanosoma cruzi amidase, putative 0.0037 0.0536 1
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0037 0.0536 1
Loa Loa (eye worm) hypothetical protein 0.0197 0.5909 0.5909
Brugia malayi Carboxylesterase family protein 0.0054 0.1094 0.1094
Echinococcus multilocularis sterol O acyltransferase 1 0.0219 0.6626 0.6626
Echinococcus multilocularis ankyrin repeat protein 0.0155 0.4498 0.4498
Loa Loa (eye worm) acetylcholinesterase 1 0.0319 1 1
Schistosoma mansoni sterol O-acyltransferase 1 0.0219 0.6626 0.6626
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0037 0.0536 0.0536
Echinococcus granulosus carboxylesterase 5A 0.0319 1 1
Schistosoma mansoni fatty-acid amide hydrolase 0.031 0.9677 0.9677
Echinococcus multilocularis acetylcholinesterase 0.0319 1 1
Brugia malayi Carboxylesterase family protein 0.0054 0.1094 0.1094
Loa Loa (eye worm) hypothetical protein 0.0054 0.1094 0.1094
Echinococcus granulosus BC026374 protein S09 family 0.0054 0.1094 0.1094
Schistosoma mansoni fatty-acid amide hydrolase 0.0037 0.0536 0.0536
Onchocerca volvulus 0.0054 0.1094 1
Loa Loa (eye worm) hypothetical protein 0.0319 1 1
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0037 0.0536 1
Brugia malayi putative amidase 0.0037 0.0536 0.0536
Mycobacterium tuberculosis Carboxylesterase LipT 0.0054 0.1094 1
Loa Loa (eye worm) hypothetical protein 0.0219 0.6626 0.6626
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.0037 0.0536 0.5
Schistosoma mansoni amidase 0.031 0.9677 0.9677
Echinococcus granulosus fatty acid amide hydrolase 1 0.031 0.9677 0.9677
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0054 0.1094 0.1094
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0021 0 0.5
Echinococcus granulosus neuroligin 0.0054 0.1094 0.1094
Onchocerca volvulus 0.0054 0.1094 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0054 0.1094 0.1094
Brugia malayi hypothetical protein 0.0054 0.1094 0.1094
Brugia malayi Amidase family protein 0.0037 0.0536 0.0536
Echinococcus multilocularis carboxylesterase 5A 0.0319 1 1
Echinococcus granulosus acetylcholinesterase 0.0319 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0054 0.1094 0.1094
Loa Loa (eye worm) hypothetical protein 0.0054 0.1094 0.1094
Loa Loa (eye worm) carboxylesterase 0.0319 1 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.031 0.9677 0.9677
Loa Loa (eye worm) carboxylesterase 0.0054 0.1094 0.1094
Echinococcus multilocularis neuroligin 0.0054 0.1094 0.1094
Brugia malayi Carboxylesterase family protein 0.0319 1 1
Echinococcus granulosus sterol O acyltransferase 1 0.0219 0.6626 0.6626
Echinococcus multilocularis transient receptor potential cation channel 0.0172 0.5067 0.5067
Leishmania major hypothetical protein, conserved 0.0037 0.0536 1
Echinococcus granulosus para nitrobenzyl esterase 0.0054 0.1094 0.1094
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0037 0.0536 1
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.0037 0.0536 0.5
Schistosoma mansoni acetylcholinesterase 0.0054 0.1094 0.1094
Onchocerca volvulus 0.0054 0.1094 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.1094 0.1094
Echinococcus granulosus ankyrin repeat protein 0.0155 0.4498 0.4498
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.0155 0.4498 0.4498
Toxoplasma gondii hypothetical protein 0.0021 0 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0319 1 1
Loa Loa (eye worm) carboxylesterase 0.0054 0.1094 0.1094
Schistosoma mansoni neuroligin 3 (S09 family) 0.0054 0.1094 0.1094
Brugia malayi Amidase family protein 0.0037 0.0536 0.0536
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0054 0.1094 1
Schistosoma mansoni gliotactin 0.0054 0.1094 0.1094
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0037 0.0536 0.0536
Echinococcus multilocularis BC026374 protein (S09 family) 0.0054 0.1094 0.1094
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0037 0.0536 0.0536
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0021 0 0.5
Trypanosoma cruzi amidase, putative 0.0037 0.0536 1
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0037 0.0536 0.0536
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0054 0.1094 0.1094
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0054 0.1094 1
Echinococcus granulosus transient receptor potential cation channel 0.0172 0.5059 0.5059
Entamoeba histolytica hypothetical protein, conserved 0.0021 0 0.5
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0021 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.1094 0.1094
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0037 0.0536 1
Echinococcus granulosus acetylcholinesterase 0.0319 1 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0054 0.1094 0.1094
Echinococcus multilocularis acetylcholinesterase 0.0319 1 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0037 0.0536 0.0536
Onchocerca volvulus 0.0054 0.1094 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.1094 0.1094
Loa Loa (eye worm) hypothetical protein 0.0054 0.1094 0.1094
Entamoeba histolytica vacuolar protein sorting 26 0.0021 0 0.5
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0037 0.0536 0.5
Loa Loa (eye worm) hypothetical protein 0.0319 1 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0054 0.1094 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0054 0.1094 0.1094
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0054 0.1094 0.1094
Echinococcus granulosus fatty acid amide hydrolase 1 0.031 0.9677 0.9677
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0054 0.1094 1
Onchocerca volvulus 0.0054 0.1094 1
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0037 0.0536 0.5
Brugia malayi amidase 0.031 0.9677 0.9677
Entamoeba histolytica hypothetical protein 0.0021 0 0.5
Loa Loa (eye worm) amidase 0.0037 0.0536 0.0536
Brugia malayi Carboxylesterase family protein 0.0054 0.1094 0.1094

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

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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