Detailed information for compound 674437

Basic information

Technical information
  • TDR Targets ID: 674437
  • Name: IVK/2008331
  • MW: 438.312 | Formula: C20H24BrNO5
  • H donors: 0 H acceptors: 2 LogP: 3.94 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C1=CN(CC(C)C)C=C(C1c1cc(Br)ccc1OC)C(=O)OC
  • InChi: 1S/C20H24BrNO5/c1-12(2)9-22-10-15(19(23)26-4)18(16(11-22)20(24)27-5)14-8-13(21)6-7-17(14)25-3/h6-8,10-12,18H,9H2,1-5H3
  • InChiKey: DYMWYKBZKFQTTC-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
Onchocerca volvulus 0.005 0.0907 0.3914
Plasmodium vivax importin-beta 2, putative 0.0029 0.0234 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0026 0.0137 0.0137
Echinococcus granulosus lysine specific demethylase 5A 0.006 0.12 0.12
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.01 0.2451 1
Brugia malayi Intermediate filament tail domain containing protein 0.0053 0.0984 0.1436
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0071 0.0291
Loa Loa (eye worm) hypothetical protein 0.0025 0.0107 0.0122
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0717 0.0813
Schistosoma mansoni intermediate filament proteins 0.0053 0.0984 0.1117
Brugia malayi Carboxylesterase family protein 0.0023 0.0045 0.0066
Loa Loa (eye worm) CBP-B 0.0072 0.1567 0.1777
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0459 0.1874
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0459 0.1874
Schistosoma mansoni lamin 0.0053 0.0984 0.1117
Brugia malayi jmjC domain containing protein 0.006 0.12 0.1751
Loa Loa (eye worm) hypothetical protein 0.0032 0.0337 0.0382
Loa Loa (eye worm) hypothetical protein 0.0026 0.0137 0.0156
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.01 0.2451 1
Trichomonas vaginalis CMGC family protein kinase 0.01 0.2451 1
Entamoeba histolytica hypothetical protein 0.0023 0.0066 0.1446
Echinococcus multilocularis CREB binding protein 0.0071 0.1539 0.1539
Schistosoma mansoni CREB-binding protein 2 0.0103 0.2543 0.2885
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0459 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0459 0.0521
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0023 0.0071 1
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.3019 0.3425
Echinococcus multilocularis lamin 0.0053 0.0984 0.0984
Schistosoma mansoni jumonji domain containing protein 0.006 0.12 0.1361
Echinococcus granulosus snurportin 1 0.0306 0.8815 0.8815
Echinococcus granulosus mitogen activated protein kinase 3 0.01 0.2451 0.2451
Loa Loa (eye worm) hypothetical protein 0.0023 0.0045 0.0052
Brugia malayi Glycosyl hydrolases family 31 protein 0.0162 0.4358 0.6358
Echinococcus granulosus L aminoadipate semialdehyde 0.0083 0.1922 0.1922
Loa Loa (eye worm) hypothetical protein 0.0101 0.2476 0.2808
Mycobacterium leprae conserved hypothetical protein 0.0023 0.0071 0.5
Brugia malayi ATP-citrate synthase 0.0078 0.1742 0.2542
Echinococcus multilocularis lysine specific demethylase 5A 0.006 0.12 0.12
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0053 0.0984 0.1117
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.01 0.2451 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.2476 0.2808
Echinococcus multilocularis musashi 0.0053 0.0984 0.0984
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0023 0.0045 0.0185
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0071 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0459 0.1874
Echinococcus multilocularis carboxylesterase 5A 0.0134 0.3479 0.3479
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0337 0.0337
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0459 0.0459
Echinococcus multilocularis GPCR, family 2 0.0032 0.0337 0.0337
Echinococcus multilocularis lysosomal alpha glucosidase 0.0162 0.4358 0.4358
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.12 0.1361
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.01 0.2451 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0045 0.0052
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0023 0.0045 0.0045
Giardia lamblia Kinase, CMGC MAPK 0.01 0.2451 1
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0337 0.0492
Schistosoma mansoni neuroligin 3 (S09 family) 0.0023 0.0045 0.0052
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0717 0.0717
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.01 0.2451 0.278
Schistosoma mansoni BC026374 protein (S09 family) 0.0023 0.0045 0.0052
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0234 0.0955
Echinococcus multilocularis acetylcholinesterase 0.0134 0.3479 0.3479
Loa Loa (eye worm) hypothetical protein 0.0134 0.3479 0.3947
Loa Loa (eye worm) carboxylesterase 0.0023 0.0045 0.0052
Onchocerca volvulus 0.0083 0.1922 0.8527
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.01 0.2451 1
Echinococcus granulosus CREB binding protein 0.0103 0.2543 0.2543
Echinococcus multilocularis lysosomal alpha glucosidase 0.0162 0.4358 0.4358
Toxoplasma gondii ATP-citrate lyase, putative 0.0078 0.1742 0.7109
Trichomonas vaginalis spcc417.12 protein, putative 0.0023 0.0045 0.0185
Loa Loa (eye worm) hypothetical protein 0.0053 0.0984 0.1117
Echinococcus granulosus CREB binding protein 0.0064 0.1318 0.1318
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0717 0.1046
Loa Loa (eye worm) carboxylesterase 0.0134 0.3479 0.3947
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0337 0.0337
Trypanosoma brucei glucosidase, putative 0.0036 0.0459 0.1874
Echinococcus granulosus muscleblind protein 0.0154 0.4096 0.4096
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0066 0.0271
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0045 0.0052
Echinococcus multilocularis mitogen activated protein kinase 3 0.01 0.2451 0.2451
Loa Loa (eye worm) carboxylesterase 0.0023 0.0045 0.0052
Echinococcus multilocularis snurportin 1 0.0306 0.8815 0.8815
Plasmodium falciparum importin beta, putative 0.0029 0.0234 1
Schistosoma mansoni hypothetical protein 0.0032 0.0337 0.0382
Echinococcus multilocularis mitogen activated protein kinase 0.01 0.2451 0.2451
Brugia malayi jmjC domain containing protein 0.006 0.12 0.1751
Loa Loa (eye worm) hypothetical protein 0.0023 0.0045 0.0052
Trichomonas vaginalis CMGC family protein kinase 0.01 0.2451 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0243 0.6855 0.7777
Echinococcus granulosus acetylcholinesterase 0.0134 0.3479 0.3479
Echinococcus multilocularis muscleblind protein 1 0.0154 0.4096 0.4096
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0045 0.0052
Echinococcus granulosus importin subunit beta 1 0.0029 0.0234 0.0234
Schistosoma mansoni ATP-citrate synthase 0.007 0.1498 0.1699
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.12 0.1361
Loa Loa (eye worm) hypothetical protein 0.0023 0.0045 0.0052
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0459 0.067
Schistosoma mansoni gliotactin 0.0023 0.0045 0.0052
Onchocerca volvulus 0.0094 0.2246 1
Schistosoma mansoni hypothetical protein 0.0032 0.0337 0.0382
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.01 0.2451 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0459 0.1874
Brugia malayi Carboxylesterase family protein 0.0023 0.0045 0.0066
Echinococcus multilocularis muscleblind protein 0.0154 0.4096 0.4096
Onchocerca volvulus 0.0053 0.0984 0.4267
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0071 0.0291
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0066 0.0271
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) 0.0103 0.2543 0.2885
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0337 0.0337
Loa Loa (eye worm) hypothetical protein 0.0134 0.3479 0.3947
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0459 0.1874
Echinococcus multilocularis lamin dm0 0.0053 0.0984 0.0984
Loa Loa (eye worm) hypothetical protein 0.0023 0.0045 0.0052
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0717 0.0717
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0071 0.0291
Schistosoma mansoni alpha-glucosidase 0.014 0.366 0.4153
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0717 0.0717
Echinococcus multilocularis tumor protein p63 0.0345 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0717 0.0813
Loa Loa (eye worm) hypothetical protein 0.0023 0.0045 0.0052
Brugia malayi TAZ zinc finger family protein 0.0103 0.2543 0.3709
Schistosoma mansoni alpha-glucosidase 0.014 0.366 0.4153
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0717 0.0717
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0459 0.0459
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0023 0.0045 0.0045
Trypanosoma brucei protein kinase, putative 0.01 0.2451 1
Echinococcus granulosus lamin dm0 0.0053 0.0984 0.0984
Loa Loa (eye worm) hypothetical protein 0.005 0.0907 0.1028
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0459 0.1874
Loa Loa (eye worm) hypothetical protein 0.0049 0.0847 0.0961
Loa Loa (eye worm) hypothetical protein 0.0025 0.0107 0.0122
Brugia malayi MH2 domain containing protein 0.0119 0.3019 0.4404
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.006 0.12 0.12
Loa Loa (eye worm) hypothetical protein 0.0083 0.1922 0.218
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0023 0.0071 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0023 0.0045 0.0045
Brugia malayi Carboxylesterase family protein 0.0134 0.3479 0.5075
Brugia malayi Carboxylesterase family protein 0.0023 0.0045 0.0066
Echinococcus granulosus intermediate filament protein 0.0053 0.0984 0.0984
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0459 0.1874
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0459 0.1874
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0459 0.1874
Echinococcus multilocularis L aminoadipate semialdehyde 0.0083 0.1922 0.1922
Echinococcus granulosus mitogen activated protein kinase 0.01 0.2451 0.2451
Trichomonas vaginalis CMGC family protein kinase 0.01 0.2451 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0045 0.0052
Loa Loa (eye worm) hypothetical protein 0.0052 0.0954 0.1083
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0337 0.0337
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0717 0.0813
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0028 0.0224 0.0254
Echinococcus multilocularis neuroligin 0.0023 0.0045 0.0045
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.1486 0.2167
Schistosoma mansoni hypothetical protein 0.0069 0.1486 0.1685
Trichomonas vaginalis CMGC family protein kinase 0.01 0.2451 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0459 0.1874
Schistosoma mansoni serine/threonine protein kinase 0.01 0.2451 0.278
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0717 0.0813
Schistosoma mansoni hypothetical protein 0.0032 0.0337 0.0382
Schistosoma mansoni alpha glucosidase 0.0036 0.0459 0.0521
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0459 0.1874
Echinococcus granulosus carboxylesterase 5A 0.0134 0.3479 0.3479
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0071 0.3045
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0023 0.0071 0.5
Echinococcus granulosus lamin 0.0053 0.0984 0.0984
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.2476 0.3611
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0459 0.1874
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0162 0.4358 0.4944
Echinococcus multilocularis acetylcholinesterase 0.0134 0.3479 0.3479
Brugia malayi Importin beta-1 subunit 0.0029 0.0234 0.0342
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.0071 0.5
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0306 0.8815 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.3019 0.3425
Loa Loa (eye worm) hypothetical protein 0.0154 0.4096 0.4647
Brugia malayi hypothetical protein 0.0023 0.0045 0.0066
Loa Loa (eye worm) hypothetical protein 0.0069 0.1486 0.1685
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.01 0.2451 1
Schistosoma mansoni lamin 0.0053 0.0984 0.1117
Loa Loa (eye worm) intermediate filament protein 0.0053 0.0984 0.1117
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0026 0.0137 0.0137
Schistosoma mansoni hypothetical protein 0.0306 0.8815 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0459 0.1874
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0083 0.1922 0.2803
Brugia malayi cytoplasmic intermediate filament protein 0.0028 0.0224 0.0327
Entamoeba histolytica hypothetical protein 0.0023 0.0071 0.1553
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0083 0.1922 0.218
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0337 0.0492
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.2476 0.3611
Echinococcus multilocularis para nitrobenzyl esterase 0.0023 0.0045 0.0045
Schistosoma mansoni importin beta-1 0.0029 0.0234 0.0266
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0066 0.0271
Brugia malayi Muscleblind-like protein 0.0154 0.4096 0.5975
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0071 0.5
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0234 0.0234
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0071 0.3045
Echinococcus granulosus GPCR family 2 0.0032 0.0337 0.0337
Loa Loa (eye worm) hypothetical protein 0.0154 0.4096 0.4647
Brugia malayi MAP kinase sur-1 0.01 0.2451 0.3575
Brugia malayi Carboxylesterase family protein 0.0023 0.0045 0.0066
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0066 0.0271
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.01 0.2451 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0459 1
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0071 0.0291
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.006 0.12 0.12
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0045 0.0052
Brugia malayi follicle stimulating hormone receptor 0.0243 0.6855 1
Brugia malayi RNA, U transporter 1 0.0082 0.1869 0.2727
Loa Loa (eye worm) acetylcholinesterase 1 0.0134 0.3479 0.3947
Echinococcus granulosus neuroligin 0.0023 0.0045 0.0045
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0134 0.3479 0.3947
Schistosoma mansoni acetylcholinesterase 0.0023 0.0045 0.0052
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0337 0.0382
Echinococcus granulosus lysosomal alpha glucosidase 0.0162 0.4358 0.4358
Brugia malayi Carboxylesterase family protein 0.0134 0.3479 0.5075
Leishmania major importin beta-1 subunit, putative 0.0023 0.0066 0.0271
Loa Loa (eye worm) ATP-citrate synthase 0.0078 0.1742 0.1977
Brugia malayi intermediate filament protein 0.0053 0.0984 0.1436
Loa Loa (eye worm) hypothetical protein 0.0029 0.0234 0.0266
Echinococcus granulosus BC026374 protein S09 family 0.0023 0.0045 0.0045
Echinococcus granulosus para nitrobenzyl esterase 0.0023 0.0045 0.0045
Schistosoma mansoni hypothetical protein 0.0032 0.0337 0.0382
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0234 0.0955
Echinococcus granulosus acetylcholinesterase 0.0134 0.3479 0.3479
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.12 0.1361
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0907 0.1028
Onchocerca volvulus 0.0053 0.0984 0.4267
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0234 0.0955

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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