Detailed information for compound 1809965

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 781.049 | Formula: C30H17ClF8N4O6S2
  • H donors: 2 H acceptors: 4 LogP: 9.14 Rotable bonds: 17
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(N(c1ccc(cc1)OC(F)(F)F)SSN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(cc1)OC(F)(F)F)NC(=O)c1ccccc1Cl
  • InChi: 1S/C30H17ClF8N4O6S2/c31-21-5-2-1-4-20(21)25(44)40-27(46)42(16-8-12-18(13-9-16)48-29(34,35)36)50-51-43(17-10-14-19(15-11-17)49-30(37,38)39)28(47)41-26(45)24-22(32)6-3-7-23(24)33/h1-15H,(H,40,44,46)(H,41,45,47)
  • InChiKey: RHLLDHRZUSTHRZ-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 0.0043 0.004 0.0036
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0004 0.0004
Schistosoma mansoni hypothetical protein 0.0043 0.004 0.0036
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0029 0.002 1
Schistosoma mansoni tar DNA-binding protein 0.0141 0.0172 0.0168
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0102 0.0119 0.0116
Schistosoma mansoni cpg binding protein 0.0064 0.0068 0.0064
Loa Loa (eye worm) hypothetical protein 0.0045 0.0042 0.0042
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0021 0.001 0.2528
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0021 0.001 0.3808
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0023 0.1242
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.0023 0.0019
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0016 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.001 0.2122
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0016 1
Echinococcus granulosus Niemann Pick C1 protein 0.0105 0.0123 0.0121
Schistosoma mansoni hypothetical protein 0.0043 0.004 0.0036
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.001 0.2122
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.001 0.2122
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0021 0.001 0.2528
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0016 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.001 0.2122
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0029 0.002 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.002 0.4685
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0007 0.2837
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 0.0006 0.0003
Echinococcus multilocularis GPCR, family 2 0.0017 0.0004 0.0001
Echinococcus multilocularis dnaJ subfamily B 0.0909 0.1214 0.1211
Echinococcus granulosus peregrin 0.0031 0.0023 0.0021
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.001 0.2122
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0016 0.0513
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0006 0.0003
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0004 0.0001
Loa Loa (eye worm) hypothetical protein 0.0019 0.0007 0.0007
Schistosoma mansoni hypothetical protein 0.0031 0.0023 0.0019
Toxoplasma gondii FATC domain-containing protein 0.0029 0.002 0.102
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.001 0.2122
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.001 0.2122
Brugia malayi jmjC domain containing protein 0.0102 0.0119 0.0119
Echinococcus granulosus alpha 16 mannosyl glycoprotein 0.7393 1 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 0.0006 0.0003
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0102 0.0119 0.0116
Trypanosoma cruzi target of rapamycin kinase 3 0.0021 0.001 0.2528
Brugia malayi CHE-14 protein 0.0045 0.0042 0.0042
Schistosoma mansoni tar DNA-binding protein 0.0141 0.0172 0.0168
Schistosoma mansoni jumonji domain containing protein 0.0081 0.0091 0.0087
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0053 0.0053
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0006 0.0003
Brugia malayi RNA binding protein 0.0141 0.0172 0.0172
Toxoplasma gondii target of rapamycin (TOR), putative 0.0021 0.001 0.0258
Loa Loa (eye worm) hypothetical protein 0.0055 0.0056 0.0056
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0029 0.002 0.0016
Loa Loa (eye worm) hypothetical protein 0.0025 0.0015 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.001 0.2122
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.001 0.2122
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.001 0.2122
Brugia malayi TAR-binding protein 0.0141 0.0172 0.0172
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0016 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0045 0.0042 0.0042
Echinococcus multilocularis protein patched 0.0045 0.0042 0.004
Loa Loa (eye worm) hypothetical protein 0.0019 0.0007 0.0007
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.001 0.2122
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.0023 0.0021
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.001 0.2122
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0042 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.001 0.2122
Loa Loa (eye worm) hypothetical protein 0.0019 0.0007 0.0007
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0016 0.0513
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.002 0.0008 0.0005
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0021 0.001 0.2528
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0016 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0016 0.0016
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0026 0.0017 0.0012
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0016 0.5
Schistosoma mansoni hypothetical protein 0.0036 0.0031 0.0026
Echinococcus multilocularis serine protein kinase ATM 0.0029 0.002 0.0017
Echinococcus multilocularis lysine specific demethylase 5A 0.0038 0.0032 0.0029
Schistosoma mansoni cpg binding protein 0.0067 0.0073 0.0069
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0016 0.0513
Loa Loa (eye worm) histone methyltransferase 0.002 0.0008 0.0008
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0018 0.0006 0.0622
Loa Loa (eye worm) hypothetical protein 0.0053 0.0053 0.0053
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0016 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0135 0.0165 0.0161
Schistosoma mansoni beta-12-n-acetylglucosaminyltransferase II 0.7393 1 1
Brugia malayi PHD-finger family protein 0.0031 0.0023 0.0023
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0016 0.0016
Schistosoma mansoni patched 1 0.0045 0.0042 0.0038
Echinococcus multilocularis expressed conserved protein 0.0099 0.0115 0.0112
Schistosoma mansoni tar DNA-binding protein 0.0141 0.0172 0.0168
Onchocerca volvulus Alhambra homolog 0.0031 0.0023 0.1503
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0037 0.0033
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0031 0.0031
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0016 0.0016
Echinococcus multilocularis protein dispatched 1 0.0051 0.0051 0.0048
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0021 0.001 0.3808
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0004 0.0001
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.001 0.2122
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.0023 0.0021
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.001 0.2122
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.001 0.2122
Schistosoma mansoni tar DNA-binding protein 0.0141 0.0172 0.0168
Plasmodium falciparum phd finger protein, putative 0.0031 0.0023 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0064 0.0068 0.0068
Schistosoma mansoni hypothetical protein 0.0909 0.1214 0.121
Giardia lamblia PHD finger protein 15 0.0031 0.0023 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0023 0.0023
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0016 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0007 0.0007
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.001 0.2122
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0023 0.1242
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0053 0.0053
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0021 0.001 0.3808
Brugia malayi F/Y-rich N-terminus family protein 0.003 0.0021 0.0021
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0023 0.0023
Echinococcus granulosus sterol regulatory element binding protein 0.0045 0.0042 0.004
Brugia malayi RNA recognition motif domain containing protein 0.0141 0.0172 0.0172
Echinococcus granulosus Niemann Pick C1 protein 0.015 0.0184 0.0182
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.001 0.2122
Echinococcus granulosus serine protein kinase ATM 0.0029 0.002 0.0017
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0018 0.0006 0.2503
Brugia malayi CXXC zinc finger family protein 0.0064 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0105 0.0123 0.0123
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0021 0.001 0.2528
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.001 0.2122
Brugia malayi isocitrate dehydrogenase 0.0018 0.0006 0.0006
Schistosoma mansoni cpg binding protein 0.0067 0.0073 0.0069
Loa Loa (eye worm) RNA binding protein 0.0141 0.0172 0.0172
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0016 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0021 0.001 0.2528
Brugia malayi Bromodomain containing protein 0.0031 0.0023 0.0023
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0021 0.001 0.0006
Echinococcus multilocularis cpg binding protein 0.0067 0.0073 0.007
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0021 0.001 0.0007
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0004 0.0001
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.001 0.2122
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0025 0.0015 0.6152
Brugia malayi jmjC domain containing protein 0.0041 0.0037 0.0037
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0007 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.001 0.2122
Echinococcus granulosus GPCR family 2 0.0017 0.0004 0.0001
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.001 0.2122
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0021 0.001 0.0007
Schistosoma mansoni tar DNA-binding protein 0.0141 0.0172 0.0168
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 0.0006 0.0002
Loa Loa (eye worm) hypothetical protein 0.0025 0.0016 0.0016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.001 0.2122
Echinococcus multilocularis peregrin 0.0031 0.0023 0.0021
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0021 0.001 0.0007
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.001 0.2122
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0021 0.001 0.2528
Leishmania major phosphatidylinositol 3-kinase, putative 0.0021 0.001 0.3808
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.001 0.2122
Echinococcus granulosus tar DNA binding protein 0.0141 0.0172 0.0169
Schistosoma mansoni hypothetical protein 0.0043 0.004 0.0036
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 0.0006 0.0006
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.002 0.0008 0.0005
Echinococcus granulosus jumonji domain containing protein 0.0043 0.004 0.0037
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0006 0.0006
Leishmania major phosphatidylinositol kinase related protein, putative 0.0021 0.001 0.3866
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0029 0.002 0.002
Brugia malayi Niemann-Pick C1 protein precursor 0.0105 0.0123 0.0123
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0037 0.0033
Echinococcus granulosus lysine specific demethylase 5A 0.0041 0.0037 0.0034
Echinococcus multilocularis Niemann Pick C1 protein 0.0105 0.0123 0.0121
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0021 0.001 0.2528
Onchocerca volvulus 0.0064 0.0068 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0041 0.0037 0.0037
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0006 0.0003
Loa Loa (eye worm) hypothetical protein 0.0025 0.0016 0.0016
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0106 0.0126 0.0122
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.001 0.2122
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0021 0.001 0.2567
Loa Loa (eye worm) hypothetical protein 0.0019 0.0007 0.0007
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.004 0.0037
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 0.0006 0.0003
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0007 0.139
Mycobacterium ulcerans hypothetical protein 0.0025 0.0016 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0016 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0141 0.0172 0.0172
Echinococcus multilocularis tar DNA binding protein 0.0141 0.0172 0.0169
Entamoeba histolytica hypothetical protein 0.0029 0.002 0.0932
Loa Loa (eye worm) hypothetical protein 0.0017 0.0004 0.0004
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0021 0.001 0.2528
Echinococcus granulosus Protein patched homolog 1 0.0045 0.0042 0.004
Echinococcus granulosus cpg binding protein 0.0067 0.0073 0.007
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0105 0.0123 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0021 0.001 0.001
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.001 0.2122
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0021 0.001 0.2528
Echinococcus multilocularis Niemann Pick C1 protein 0.015 0.0184 0.0182
Loa Loa (eye worm) CXXC zinc finger family protein 0.0064 0.0068 0.0068
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0023 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0004 0.0004
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0004 0.0001
Echinococcus multilocularis alpha 1,6 mannosyl glycoprotein 0.7393 1 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0053 0.0053
Echinococcus granulosus dnaJ subfamily B 0.0909 0.1214 0.1211
Loa Loa (eye worm) hypothetical protein 0.0036 0.0031 0.0031
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0016 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0021 0.001 0.001
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0021 0.001 0.001
Loa Loa (eye worm) TAR-binding protein 0.0141 0.0172 0.0172
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0007 0.2837
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0016 0.0016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.001 0.2122
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0053 0.0053
Loa Loa (eye worm) hypothetical protein 0.7393 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.001 0.2122
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0004 0.0004
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0021 0.001 0.3808
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0018 0.0006 0.2503
Echinococcus multilocularis sterol regulatory element binding protein 0.0045 0.0042 0.004
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0021 0.001 0.0007
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0021 0.001 0.0006
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0016 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0016 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0121 0.0145 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0021 0.001 0.001
Echinococcus granulosus expressed conserved protein 0.0099 0.0115 0.0112
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0016 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.
 
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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