Detailed information for compound 1173402

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 449.251 | Formula: C19H17Cl2F3N2O3
  • H donors: 2 H acceptors: 4 LogP: 3.89 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCc2c(C1)c(Cl)c(c(c2Cl)O)O)CCCc1ccc(nc1)C(F)(F)F
  • InChi: 1S/C19H17Cl2F3N2O3/c20-15-11-6-7-26(9-12(11)16(21)18(29)17(15)28)14(27)3-1-2-10-4-5-13(25-8-10)19(22,23)24/h4-5,8,28-29H,1-3,6-7,9H2
  • InChiKey: ARBJJZXMAPJXAX-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
Brugia malayi ImpB/MucB/SamB family protein 0.005 0.0202 0.0248
Loa Loa (eye worm) hypothetical protein 0.0094 0.0785 0.0986
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0094 0.0785 0.0986
Trypanosoma brucei phosphoglycerate kinase 0.007 0.0471 0.051
Echinococcus multilocularis microtubule associated protein 2 0.0777 1 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0041 0.0071 0.0244
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0328 0.3943 0.499
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0328 0.3943 0.4945
Schistosoma mansoni alpha glucosidase 0.0041 0.0071 0.0065
Echinococcus multilocularis lysosomal alpha glucosidase 0.0183 0.1996 0.1939
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.007 0.0471 0.0596
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.0217 0.2451 0.304
Leishmania major alpha glucosidase II subunit, putative 0.0041 0.0071 0.009
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0046 0.0144 0.0182
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0101 0.0886 0.1115
Entamoeba histolytica phosphoglycerate kinase, putative 0.0192 0.2106 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0056 0.028 0.0354
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0155 0.1614 0.2043
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.023 0.0284
Loa Loa (eye worm) glutaminase 2 0.0308 0.3673 0.4644
Plasmodium vivax phosphoglycerate kinase, putative 0.0192 0.2106 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.023 0.0284
Schistosoma mansoni pyruvate dehydrogenase 0.0621 0.7901 0.79
Echinococcus granulosus neuropeptide s receptor 0.052 0.6544 0.6519
Schistosoma mansoni glutaminase 0.0308 0.3673 0.3669
Leishmania major mitochondrial DNA polymerase beta 0.0328 0.3943 0.499
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0192 0.2106 0.5
Echinococcus granulosus L aminoadipate semialdehyde 0.0094 0.0785 0.0719
Plasmodium falciparum phosphoglycerate kinase 0.0192 0.2106 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.005 0.0202 0.0167
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.0217 0.2451 0.3103
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0192 0.2106 0.2666
Echinococcus multilocularis L aminoadipate semialdehyde 0.0094 0.0785 0.0719
Brugia malayi Pre-SET motif family protein 0.0226 0.2568 0.3245
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0155 0.1614 0.1971
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.0217 0.2451 0.8402
Schistosoma mansoni alpha-glucosidase 0.0158 0.1652 0.1646
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0192 0.2106 0.722
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.0217 0.2451 0.3103
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.0886 0.0821
Echinococcus granulosus neuropeptide receptor A26 0.052 0.6544 0.6519
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.007 0.0471 0.0596
Schistosoma mansoni DNA polymerase eta 0.005 0.0202 0.0196
Leishmania major DNA polymerase eta, putative 0.005 0.0202 0.0256
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.007 0.0471 0.0596
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.023 0.0284
Trichomonas vaginalis set domain proteins, putative 0.0257 0.2989 0.8102
Schistosoma mansoni phosphoglycerate kinase 0.0192 0.2106 0.2101
Schistosoma mansoni alpha-glucosidase 0.0158 0.1652 0.1646
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0101 0.0886 0.1115
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0192 0.2106 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0094 0.0785 0.0779
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.0886 0.0881
Echinococcus multilocularis lysosomal alpha glucosidase 0.0183 0.1996 0.1939
Schistosoma mansoni phosphoglycerate kinase 0.0192 0.2106 0.2101
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0226 0.2568 0.3245
Loa Loa (eye worm) hypothetical protein 0.005 0.0202 0.0248
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0041 0.0071 0.0082
Leishmania major phosphoglycerate kinase C, glycosomal 0.0192 0.2106 0.2666
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0183 0.1996 0.252
Echinococcus multilocularis neuropeptide s receptor 0.052 0.6544 0.6519
Brugia malayi kinase, mitochondrial precursor 0.0621 0.7901 1
Echinococcus granulosus dna polymerase eta 0.005 0.0202 0.0132
Schistosoma mansoni microtubule-associated protein tau 0.0777 1 1
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0621 0.7901 0.7886
Brugia malayi Phosphoglycerate kinase 0.0192 0.2106 0.266
Mycobacterium ulcerans glutaminase 0.0308 0.3673 1
Trypanosoma cruzi phosphoglycerate kinase, putative 0.007 0.0471 0.0596
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0071 0.009
Trypanosoma brucei phosphoglycerate kinase, putative 0.007 0.0471 0.051
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0328 0.3943 0.499
Onchocerca volvulus 0.0106 0.0953 0.0764
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.0886 0.0881
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0046 0.0144 0.0182
Leishmania major phosphoglycerate kinase B, cytosolic 0.0192 0.2106 0.2666
Loa Loa (eye worm) hypothetical protein 0.0192 0.2106 0.266
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0192 0.2106 0.722
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0621 0.7901 1
Brugia malayi Phosphoglycerate kinase 0.007 0.0471 0.0588
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0046 0.0144 0.0093
Mycobacterium leprae Probable phosphoglycerate kinase Pgk 0.0192 0.2106 0.5
Leishmania major developmentally regulated phosphoprotein-like protein 0.0621 0.7901 1
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.007 0.0471 0.0596
Loa Loa (eye worm) glutaminase 0.0308 0.3673 0.4644
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0192 0.2106 0.5651
Mycobacterium ulcerans phosphoglycerate kinase 0.0192 0.2106 0.1403
Treponema pallidum phosphoglycerate kinase 0.0192 0.2106 0.5
Echinococcus multilocularis dna polymerase eta 0.005 0.0202 0.0132
Toxoplasma gondii hypothetical protein 0.0053 0.0235 0.0806
Trypanosoma brucei phosphoglycerate kinase 0.0192 0.2106 0.2599
Schistosoma mansoni pyruvate dehydrogenase 0.0587 0.7435 0.7433
Trypanosoma cruzi phosphoglycerate kinase, putative 0.007 0.0471 0.0596
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0071 0.009
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0192 0.2106 0.5651
Onchocerca volvulus 0.0257 0.2989 1
Trypanosoma brucei developmentally regulated phosphoprotein 0.0621 0.7901 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.023 0.0284
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.0886 0.0821
Giardia lamblia Phosphoglycerate kinase 0.0192 0.2106 0.5
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0621 0.7901 0.7886
Echinococcus multilocularis neuropeptide receptor A26 0.052 0.6544 0.6519
Chlamydia trachomatis phosphoglycerate kinase 0.0192 0.2106 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.0886 0.0821
Brugia malayi Glycosyl hydrolases family 31 protein 0.0183 0.1996 0.252
Echinococcus multilocularis phosphoglycerate kinase 1 0.0192 0.2106 0.205
Schistosoma mansoni pyruvate dehydrogenase 0.0587 0.7435 0.7433
Echinococcus granulosus lysosomal alpha glucosidase 0.0183 0.1996 0.1939
Trichomonas vaginalis glutaminase, putative 0.0308 0.3673 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0252 0.2918 1
Trypanosoma cruzi DNA polymerase eta, putative 0.005 0.0202 0.0256
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.0886 0.0821
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.0886 0.0881
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0192 0.2106 0.2666
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0155 0.1614 0.2043
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0046 0.0144 0.0182
Trypanosoma brucei phosphoglycerate kinase 0.0192 0.2106 0.2599
Brugia malayi Glycosyl hydrolases family 31 protein 0.0041 0.0071 0.0082
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0621 0.7901 0.7886
Brugia malayi glutaminase DH11.1 0.0308 0.3673 0.4644
Echinococcus granulosus phosphoglycerate kinase 1 0.0192 0.2106 0.205
Loa Loa (eye worm) hypothetical protein 0.0621 0.7901 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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