Detailed information for compound 1772785

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 363.796 | Formula: C17H18ClN3O4
  • H donors: 2 H acceptors: 3 LogP: 3.78 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(OC)c(OC)cc2c1c(ncn2)Nc1ccc(cc1)O.Cl
  • InChi: 1S/C17H17N3O4.ClH/c1-22-13-8-12-14(16(24-3)15(13)23-2)17(19-9-18-12)20-10-4-6-11(21)7-5-10;/h4-9,21H,1-3H3,(H,18,19,20);1H
  • InChiKey: VQRHLWZOCGSGHC-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
Schistosoma mansoni hypothetical protein 0.0015 0.0014 0.0007
Echinococcus granulosus histone lysine methyltransferase setb 0.0047 0.0124 0.0124
Trypanosoma cruzi glycerolphosphate mutase, putative 0.0049 0.013 0.0123
Schistosoma mansoni phosphoglycerate mutase 0.0049 0.013 0.0123
Loa Loa (eye worm) hypothetical protein 0.2829 0.9831 0.983
Mycobacterium ulcerans lipoprotein LpqD 0.0049 0.013 0.0209
Brugia malayi PHD-finger family protein 0.0025 0.0047 0.0242
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.0523 0.1785 0.1785
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0142 0.0457 1
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1228 0.4244 0.424
Trypanosoma cruzi ISWI complex protein 0.0015 0.0014 0.0006
Trichomonas vaginalis CAMK family protein kinase 0.0523 0.1785 1
Echinococcus multilocularis zinc finger protein 0.002 0.0028 0.0028
Mycobacterium ulcerans phosphoglycerate mutase 0.0049 0.013 0.0209
Loa Loa (eye worm) hypothetical protein 0.2877 1 1
Plasmodium vivax phosphoglucomutase-2, putative 0.0049 0.013 1
Trypanosoma cruzi phosphoglycerate mutase family member 5, putative 0.0049 0.013 0.0123
Trypanosoma brucei phosphoglycerate mutase protein, putative 0.0049 0.013 0.0123
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.0977 0.5326
Treponema pallidum fructose-bisphosphate aldolase 0.0291 0.0977 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.0977 0.5326
Echinococcus multilocularis phosphoglycerate mutase 0.0049 0.013 0.013
Loa Loa (eye worm) heterochromatin protein 1 0.0069 0.0203 0.0196
Onchocerca volvulus 0.2877 1 1
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.2877 1 1
Echinococcus multilocularis muscleblind protein 0.0149 0.048 0.048
Toxoplasma gondii phosphoglycerate mutase family protein 0.0049 0.013 1
Mycobacterium ulcerans bifunctional RNase H/acid phosphatase 0.0049 0.013 0.0209
Schistosoma mansoni 6-phosphofructokinase 0.2877 1 1
Schistosoma mansoni phosphoglycerate mutase 0.0049 0.013 0.0123
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0049 0.013 0.0424
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0085 0.0085
Schistosoma mansoni hypothetical protein 0.0049 0.013 0.0123
Giardia lamblia Hypothetical protein 0.1698 0.5886 1
Trypanosoma cruzi phosphoglycerate mutase, putative 0.0049 0.013 0.0123
Echinococcus multilocularis chromobox protein 1 0.0069 0.0203 0.0203
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.013 0.0424
Plasmodium falciparum phosphoglucomutase-2 0.0049 0.013 0.5
Echinococcus multilocularis phosphoglycerate mutase 0.0049 0.013 0.013
Loa Loa (eye worm) hypothetical protein 0.0031 0.0067 0.006
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0049 0.013 0.0123
Echinococcus granulosus phosphoglycerate mutase 0.0049 0.013 0.013
Echinococcus granulosus serine:threonine protein phosphatase PGAM5 0.0049 0.013 0.013
Echinococcus granulosus phosphoglycerate mutase 0.0049 0.013 0.013
Onchocerca volvulus 0.0049 0.013 0.013
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0107 0.0289
Loa Loa (eye worm) hypothetical protein 0.0049 0.013 0.0123
Trypanosoma cruzi phosphoglycerate mutase protein, putative 0.0049 0.013 0.0123
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0049 0.013 0.0123
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.2877 1 1
Brugia malayi Heterochromatin protein 1 0.0069 0.0203 0.1117
Brugia malayi Cytochrome P450 family protein 0.0013 0.0007 0.0018
Echinococcus multilocularis serine:threonine protein phosphatase PGAM5 0.0049 0.013 0.013
Loa Loa (eye worm) hypothetical protein 0.0041 0.0102 0.0095
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0049 0.013 0.0424
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.0977 0.5326
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.0977 0.5326
Trypanosoma cruzi phosphoglycerate mutase protein, putative 0.0049 0.013 0.0123
Trichomonas vaginalis CAMK family protein kinase 0.0523 0.1785 1
Trypanosoma brucei Histidine phosphatase superfamily (branch 1), putative 0.0049 0.013 0.0123
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0064 0.0064
Leishmania major phosphoglycerate mutase family member 5, putative 0.0049 0.013 0.0123
Brugia malayi Protein kinase domain containing protein 0.0523 0.1785 1
Onchocerca volvulus 0.0236 0.0784 0.0784
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative 0.0049 0.013 0.0123
Brugia malayi Pre-SET motif family protein 0.0208 0.0684 0.3821
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.2877 1 1
Trypanosoma brucei ISWI complex protein 0.0015 0.0014 0.0006
Loa Loa (eye worm) hypothetical protein 0.0049 0.013 0.0123
Toxoplasma gondii phosphoglycerate mutase 0.0049 0.013 1
Echinococcus granulosus phosphoglycerate mutase 0.0049 0.013 0.013
Brugia malayi Pre-SET motif family protein 0.003 0.0064 0.0339
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0039 0.0039
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.2877 1 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0168 0.0168
Schistosoma mansoni bromodomain containing protein 0.0063 0.018 0.0174
Loa Loa (eye worm) phosphoglycerate mutase 0.0049 0.013 0.0123
Echinococcus multilocularis muscleblind protein 1 0.0149 0.048 0.048
Leishmania major phosphoglycerate mutase protein, putative 0.0049 0.013 0.0123
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0064 0.0058
Echinococcus multilocularis chromobox protein 1 0.0069 0.0203 0.0203
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0041 0.0104 0.0097
Schistosoma mansoni zinc finger protein 0.002 0.0028 0.0022
Trypanosoma cruzi phosphoglycerate mutase, putative 0.0049 0.013 0.0123
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.0684 0.0678
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0291 0.0977 0.1472
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1228 0.4244 0.424
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0047 0.0124 0.0124
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0032 0.0025
Mycobacterium ulcerans phosphohistidine phosphatase SixA 0.0049 0.013 0.0209
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.0523 0.1785 0.178
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.2829 0.9831 0.983
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0013 0.0007 0.0007
Echinococcus multilocularis phosphoglycerate mutase 0.0049 0.013 0.013
Onchocerca volvulus 0.0041 0.0104 0.0104
Echinococcus granulosus phosphoglycerate mutase 0.0049 0.013 0.013
Mycobacterium ulcerans phosphoglycerate mutase 0.0049 0.013 0.0209
Trypanosoma brucei Serine/threonine-protein phosphatase PGAM5, mitochondrial, putative 0.0049 0.013 0.0123
Trypanosoma cruzi phosphoglycerate mutase family member 5, putative 0.0049 0.013 0.0123
Brugia malayi phosphoglycerate mutase family protein 0.0049 0.013 0.0707
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0049 0.013 0.0123
Echinococcus granulosus phosphoglycerate mutase 0.0049 0.013 0.013
Leishmania major hypothetical protein, unknown function 0.0049 0.013 0.0123
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.0523 0.1785 0.1785
Brugia malayi Muscleblind-like protein 0.0149 0.048 0.2673
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0096 0.0096
Trichomonas vaginalis chromobox protein, putative 0.0069 0.0203 0.0846
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0049 0.013 0.0424
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.2829 0.9831 0.983
Leishmania major hypothetical protein, conserved 0.0049 0.013 0.0123
Leishmania major hypothetical protein, conserved 0.0015 0.0014 0.0006
Mycobacterium ulcerans hypothetical protein 0.0049 0.013 0.0209
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0096 0.0229
Toxoplasma gondii phosphoglycerate mutase family protein 0.0049 0.013 1
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.2829 0.9831 0.983
Brugia malayi chromobox protein homolog 3 0.0039 0.0096 0.0519
Loa Loa (eye worm) hypothetical protein 0.0049 0.013 0.0123
Onchocerca volvulus Protein UBASH3A homolog 0.0049 0.013 0.013
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.2877 1 1
Trypanosoma cruzi ISWI complex protein 0.0015 0.0014 0.0006
Schistosoma mansoni hypothetical protein 0.0049 0.013 0.0123
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.1698 0.5886 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0142 0.0457 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0124 0.0117
Mycobacterium ulcerans acid phosphatase 0.0049 0.013 0.0209
Echinococcus multilocularis serine:threonine protein phosphatase PGAM5 0.0049 0.013 0.013
Echinococcus granulosus serine:threonine protein phosphatase PGAM5 0.0049 0.013 0.013
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1228 0.4244 0.424
Loa Loa (eye worm) hypothetical protein 0.0038 0.0094 0.0087
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0107 0.0107
Brugia malayi phosphoglycerate mutase family protein 0.0049 0.013 0.0707
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.0977 0.5326
Leishmania major hypothetical protein, conserved 0.0049 0.013 0.0123
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.0977 0.5326
Echinococcus granulosus chromobox protein 1 0.0069 0.0203 0.0203
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.002 0.002
Schistosoma mansoni hypothetical protein 0.0021 0.0032 0.0025
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0809 0.2781 0.2781
Leishmania major glycerolphosphate mutase, putative 0.0049 0.013 0.0123
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.0124 0.0117
Schistosoma mansoni hypothetical protein 0.0049 0.013 0.0123
Trichomonas vaginalis set domain proteins, putative 0.0236 0.0784 0.4211
Mycobacterium ulcerans hypothetical protein 0.0049 0.013 0.0209
Brugia malayi UBASH3A protein homolog 0.0049 0.013 0.0707
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0107 0.0289
Loa Loa (eye worm) hypothetical protein 0.0071 0.0206 0.02
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0085 0.0085
Echinococcus multilocularis phosphoglycerate mutase 0.0049 0.013 0.013
Loa Loa (eye worm) TTK protein kinase 0.0523 0.1785 0.178
Chlamydia trachomatis 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase 0.0049 0.013 0.5
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.1698 0.5886 1
Schistosoma mansoni chromobox protein 0.0069 0.0203 0.0196
Onchocerca volvulus 0.0049 0.013 0.013
Onchocerca volvulus 0.0031 0.0067 0.0067
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.0977 0.5326
Trypanosoma brucei phosphoglycerate mutase, putative 0.0049 0.013 0.0123
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0142 0.0457 0.0765
Loa Loa (eye worm) hypothetical protein 0.0043 0.0109 0.0102
Trichomonas vaginalis chromobox protein, putative 0.0069 0.0203 0.0846
Echinococcus multilocularis phosphoglycerate mutase 0.0049 0.013 0.013
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0013 0.0007 0.0007
Schistosoma mansoni chromobox protein 0.0069 0.0203 0.0196
Mycobacterium ulcerans hydrolase MutT1 0.0049 0.013 0.0209
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0049 0.013 0.0424
Schistosoma mansoni hypothetical protein 0.0049 0.013 0.0123
Schistosoma mansoni hypothetical protein 0.0049 0.013 0.0123
Trypanosoma brucei Histidine phosphatase superfamily (branch 1), putative 0.0049 0.013 0.0123
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0523 0.1785 0.1785
Mycobacterium ulcerans phosphoglyceromutase 0.0049 0.013 0.0209
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.013 0.0424
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0168 0.0168
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein 0.1228 0.4244 0.424
Leishmania major phosphoglycerate mutase, putative 0.0049 0.013 0.0123
Trypanosoma brucei Histidine phosphatase superfamily (branch 1), putative 0.0049 0.013 0.0123
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0022 0.0015
Giardia lamblia Hypothetical protein 0.1698 0.5886 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0039 0.0032
Echinococcus granulosus zinc finger protein 0.002 0.0028 0.0028
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.0124 0.0117
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.002 0.0013
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0049 0.013 0.0424
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.0977 0.5326
Brugia malayi CHD4 protein 0.0013 0.0007 0.0016
Echinococcus granulosus chromobox protein 1 0.0069 0.0203 0.0203
Mycobacterium ulcerans hypothetical protein 0.1698 0.5886 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0291 0.0977 0.1472
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.002 0.002
Onchocerca volvulus Protein UBASH3A homolog 0.0049 0.013 0.013
Plasmodium vivax phosphoglycerate mutase, putative 0.0049 0.013 1
Onchocerca volvulus Protein UBASH3A homolog 0.0049 0.013 0.013
Echinococcus granulosus muscleblind protein 0.0149 0.048 0.048
Loa Loa (eye worm) hypothetical protein 0.0149 0.048 0.0474
Loa Loa (eye worm) hypothetical protein 0.165 0.5716 0.5713
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative 0.0049 0.013 0.0123
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0049 0.013 0.0123
Giardia lamblia Kinase, TTK 0.0523 0.1785 0.1646
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0049 0.013 0.0123
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.002 0.0013
Brugia malayi Bromodomain containing protein 0.0075 0.0221 0.1221
Loa Loa (eye worm) hypothetical protein 0.0039 0.0096 0.009
Loa Loa (eye worm) hypothetical protein 0.0149 0.048 0.0474
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.006 0.006
Brugia malayi Bromodomain containing protein 0.0038 0.0094 0.0504
Trypanosoma brucei glycerolphosphate mutase, putative 0.0049 0.013 0.0123
Toxoplasma gondii phosphoglycerate mutase PGMII 0.0049 0.013 1
Leishmania major fructose-6-phosphate2-kinase/fructose-2,6-bisph os phatase-likeprotein 0.0049 0.013 0.0123
Brugia malayi Cytochrome P450 family protein 0.0013 0.0007 0.0018
Toxoplasma gondii phosphoglycerate mutase family protein 0.0049 0.013 1
Plasmodium falciparum phosphoglycerate mutase, putative 0.0049 0.013 0.5
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative 0.0049 0.013 0.0123
Schistosoma mansoni hypothetical protein 0.0049 0.013 0.0123
Loa Loa (eye worm) hypothetical protein 0.0049 0.013 0.0123
Trypanosoma cruzi glycerolphosphate mutase, putative 0.0049 0.013 0.0123
Leishmania major hypothetical protein, conserved 0.0049 0.013 0.0123
Onchocerca volvulus 0.0049 0.013 0.013
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.2829 0.9831 0.983
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0039 0.0039
Echinococcus multilocularis phosphoglycerate mutase 0.0049 0.013 0.013
Onchocerca volvulus Protein UBASH3A homolog 0.0049 0.013 0.013
Schistosoma mansoni zinc finger protein 0.0015 0.0014 0.0007
Toxoplasma gondii phosphoglycerate mutase family protein 0.0049 0.013 1
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0096 0.0229

Activities

Activity type Activity value Assay description Source Reference
GI (functional) = -7.5 % Growth inhibition of human Bcap37 cells at 1 uM after 72 hrs by MTT assay relative to control ChEMBL. 23811258

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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