Detailed information for compound 1306822

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 570.43 | Formula: C26H21BrFN3O4S
  • H donors: 1 H acceptors: 4 LogP: 3.88 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 2
  • SMILES: Fc1ccc(cc1)S(=O)(=O)N1c2ccccc2[C@]2([C@@H]1N1[C@@H](C2)C(=O)N[C@H](C1=O)Cc1ccccc1)Br
  • InChi: 1S/C26H21BrFN3O4S/c27-26-15-22-23(32)29-20(14-16-6-2-1-3-7-16)24(33)30(22)25(26)31(21-9-5-4-8-19(21)26)36(34,35)18-12-10-17(28)11-13-18/h1-13,20,22,25H,14-15H2,(H,29,32)/t20-,22-,25+,26+/m0/s1
  • InChiKey: ZQAZZLLJIFNNLO-QZGNXELUSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0219 0.1333 0.3408
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0045 0.0084
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0039 0.0039
Trichomonas vaginalis D-aminoacylase, putative 0.0219 0.1333 0.3724
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0051 0.0187 0.1357
Schistosoma mansoni hypothetical protein 0.0112 0.0605 0.0605
Brugia malayi cytoplasmic intermediate filament protein 0.0043 0.0131 0.0335
Schistosoma mansoni lamin 0.008 0.0386 0.0386
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0051 0.0183 0.0467
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.021 0.1269 0.3542
Echinococcus granulosus lamin 0.008 0.0386 0.0386
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0391 0.2513 0.2513
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.021 0.1269 0.3542
Brugia malayi RNA recognition motif domain containing protein 0.0399 0.2563 0.6551
Brugia malayi Probable ClpP-like protease 0.0079 0.0378 0.0966
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.003 0.0041 0.0041
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0051 0.0183 0.0183
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0079 0.0378 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0051 0.0183 0.0183
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0187 0.0484
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0042 0.0124 0.0884
Loa Loa (eye worm) hypothetical protein 0.0051 0.0183 0.0467
Loa Loa (eye worm) Smad1 0.0041 0.0114 0.0292
Loa Loa (eye worm) glutaminase 2 0.0544 0.3554 0.9085
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.003 0.0041 0.0071
Brugia malayi Nuclear hormone receptor-like 1 0.0027 0.002 0.005
Brugia malayi Pre-SET motif family protein 0.0206 0.1247 0.3186
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0072 0.0329 0.0841
Loa Loa (eye worm) hypothetical protein 0.0051 0.0183 0.0467
Schistosoma mansoni microtubule-associated protein tau 0.1487 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0051 0.0183 0.0183
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0041 0.0114 0.0114
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0051 0.0187 0.113
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0051 0.0187 0.1357
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0112 0.0605 0.1548
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0137 0.0771 0.0771
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0051 0.0183 0.0467
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.0378 0.1047
Echinococcus multilocularis smad 0.0041 0.0114 0.0114
Mycobacterium tuberculosis Conserved protein 0.0219 0.1333 0.1413
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0108 0.0261
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0051 0.0187 0.1358
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0051 0.0183 0.0183
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0051 0.0183 0.0467
Loa Loa (eye worm) glutaminase 0.0544 0.3554 0.9085
Giardia lamblia Histone acetyltransferase GCN5 0.0077 0.0365 0.5062
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0051 0.0187 0.0477
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0027 0.002 0.002
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0025 0.0007 0.0017
Loa Loa (eye worm) RNA binding protein 0.0399 0.2563 0.6551
Loa Loa (eye worm) hypothetical protein 0.0137 0.0771 0.1972
Trypanosoma cruzi hypothetical protein, conserved 0.0219 0.1333 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.02 0.1207 0.765
Onchocerca volvulus 0.0051 0.0183 0.1269
Schistosoma mansoni neuropeptide receptor 0.0103 0.0542 0.0542
Schistosoma mansoni intermediate filament proteins 0.008 0.0386 0.0386
Brugia malayi Nuclear hormone receptor-like 1 0.0051 0.0183 0.0467
Loa Loa (eye worm) hypothetical protein 0.0025 0.0007 0.0017
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0007 0.0017
Brugia malayi Smad1 0.0041 0.0114 0.0292
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.021 0.1269 0.9501
Trichomonas vaginalis penicillin-binding protein, putative 0.0219 0.1333 0.3724
Mycobacterium ulcerans hypothetical protein 0.0219 0.1333 0.374
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0072 0.0329 0.2055
Entamoeba histolytica hypothetical protein 0.0254 0.1576 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0079 0.0378 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0112 0.0605 0.0605
Toxoplasma gondii ABC1 family protein 0.0219 0.1333 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0681 0.4495 0.4495
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0051 0.0183 0.0183
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0032 0.0032
Schistosoma mansoni smad1 5 8 and 0.0041 0.0114 0.0114
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.0378 0.2708
Brugia malayi MH2 domain containing protein 0.0041 0.0114 0.0292
Loa Loa (eye worm) transcription factor SMAD2 0.0596 0.3912 1
Schistosoma mansoni hypothetical protein 0.0631 0.4148 0.4148
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0399 0.2563 0.6551
Entamoeba histolytica acetyltransferase, GNAT family 0.0077 0.0365 0.2281
Brugia malayi beta-lactamase family protein 0.0219 0.1333 0.3408
Echinococcus multilocularis lamin dm0 0.008 0.0386 0.0386
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0027 0.002 0.002
Echinococcus multilocularis expressed protein 0.0026 0.0015 0.0015
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0084 0.0413 0.2972
Brugia malayi RNA binding protein 0.0399 0.2563 0.6551
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0051 0.0187 0.0187
Loa Loa (eye worm) hypothetical protein 0.008 0.0386 0.0987
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0137 0.0771 0.1972
Mycobacterium tuberculosis Possible penicillin-binding protein 0.1399 0.9399 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0041 0.0114 0.0114
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0039 0.012
Onchocerca volvulus 0.008 0.0386 0.2679
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.0378 0.5
Onchocerca volvulus 0.0219 0.1333 0.9251
Brugia malayi beta-lactamase 0.0219 0.1333 0.3408
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0027 0.0023 0.0125
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0027 0.002 0.002
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0079 0.0378 0.0378
Echinococcus multilocularis musashi 0.008 0.0386 0.0386
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0051 0.0183 0.0467
Schistosoma mansoni peptidase Clp (S14 family) 0.0079 0.0378 0.0378
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0079 0.0378 0.2708
Loa Loa (eye worm) hypothetical protein 0.02 0.1201 0.307
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0145 0.0827 0.2292
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0043 0.0131 0.0335
Schistosoma mansoni tar DNA-binding protein 0.0399 0.2563 0.2563
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0039 0.0102 0.0102
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0219 0.1333 0.1413
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0051 0.0183 0.0183
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0219 0.1333 0.1413
Mycobacterium tuberculosis Conserved protein 0.0219 0.1333 0.1413
Onchocerca volvulus 0.0153 0.0883 0.6124
Loa Loa (eye worm) hypothetical protein 0.0051 0.0183 0.0467
Loa Loa (eye worm) hypothetical protein 0.0037 0.0092 0.0235
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0051 0.0187 0.0187
Mycobacterium tuberculosis Probable lipase LipE 0.0219 0.1333 0.1413
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0108 0.0261
Mycobacterium ulcerans bacterioferritin BfrB 0.0026 0.0015 0.0025
Loa Loa (eye worm) phosphatidylinositol 3 0.0051 0.0187 0.0477
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.021 0.1269 0.8044
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0051 0.0187 0.113
Brugia malayi hypothetical protein 0.0153 0.0883 0.2256
Echinococcus granulosus tar DNA binding protein 0.0399 0.2563 0.2563
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0391 0.2513 0.2513
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0051 0.0183 0.0467
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0254 0.1576 0.1576
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0041 0.0114 0.0114
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0051 0.0187 0.1358
Loa Loa (eye worm) hypothetical protein 0.0027 0.002 0.005
Loa Loa (eye worm) TAR-binding protein 0.0399 0.2563 0.6551
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0045 0.0083
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0167 0.098 0.6206
Schistosoma mansoni smad 0.0041 0.0114 0.0114
Onchocerca volvulus 0.003 0.0039 0.027
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0045 0.0083
Trypanosoma cruzi target of rapamycin kinase 3 0.0042 0.0124 0.0645
Trichomonas vaginalis D-aminoacylase, putative 0.0219 0.1333 0.3724
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0051 0.0183 0.0467
Echinococcus granulosus tumor protein p63 0.1364 0.9159 0.9159
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0051 0.0183 0.0467
Mycobacterium ulcerans bacterioferritin BfrA 0.0026 0.0015 0.0025
Schistosoma mansoni apoferritin-2 0.0026 0.0015 0.0015
Trichomonas vaginalis penicillin-binding protein, putative 0.0219 0.1333 0.3724
Loa Loa (eye worm) acetyltransferase 0.0286 0.1795 0.4588
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0045 0.0084
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0051 0.0183 0.0183
Mycobacterium ulcerans esterase/lipase LipP 0.0219 0.1333 0.374
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0219 0.1333 0.1413
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0051 0.0183 0.1269
Echinococcus multilocularis ecdysone induced protein 78C 0.0051 0.0183 0.0183
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0072 0.0329 0.2231
Schistosoma mansoni ferritin light chain 0.0026 0.0015 0.0015
Plasmodium vivax hypothetical protein, conserved 0.0219 0.1333 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0219 0.1333 0.3408
Echinococcus granulosus mothers against decapentaplegic 5 0.0041 0.0114 0.0114
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0026 0.0015 0.0066
Echinococcus granulosus neuropeptide receptor 0.0103 0.0542 0.0542
Loa Loa (eye worm) hypothetical protein 0.0027 0.002 0.005
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0051 0.0183 0.0467
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0391 0.2513 0.2513
Loa Loa (eye worm) hypothetical protein 0.0051 0.0183 0.0467
Brugia malayi beta-lactamase family protein 0.0219 0.1333 0.3408
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.003 0.0041 0.0133
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0355 0.2266 0.5793
Brugia malayi ecdysteroid receptor 0.0051 0.0183 0.0467
Schistosoma mansoni hypothetical protein 0.0112 0.0605 0.0605
Brugia malayi Intermediate filament tail domain containing protein 0.008 0.0386 0.0987
Trypanosoma brucei hypothetical protein, conserved 0.0219 0.1333 1
Schistosoma mansoni smad1 5 8 and 0.0041 0.0114 0.0114
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0051 0.0183 0.0467
Echinococcus multilocularis lamin 0.008 0.0386 0.0386
Brugia malayi Pre-SET motif family protein 0.003 0.0039 0.01
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0051 0.0183 0.0183
Onchocerca volvulus 0.0219 0.1333 0.9251
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0112 0.0605 0.1548
Loa Loa (eye worm) intermediate filament protein 0.008 0.0386 0.0987
Echinococcus granulosus ecdysone induced protein 78C 0.0051 0.0183 0.0183
Trypanosoma cruzi hypothetical protein, conserved 0.0219 0.1333 1
Brugia malayi hypothetical protein 0.0027 0.002 0.005
Echinococcus granulosus intermediate filament protein 0.008 0.0386 0.0386
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0052 0.0192 0.0197
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.003 0.0041 0.0071
Loa Loa (eye worm) latrophilin receptor protein 2 0.0112 0.0605 0.1548
Brugia malayi glutaminase DH11.1 0.0544 0.3554 0.9085
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.0378 0.2708
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0219 0.1333 0.374
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.003 0.0041 0.0104
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0051 0.0183 0.0183
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.003 0.0041 0.0071
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0112 0.0605 0.0605
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0051 0.0183 0.0467
Onchocerca volvulus 0.008 0.0386 0.2679
Echinococcus multilocularis G protein coupled receptor 139 0.0103 0.0542 0.0542
Schistosoma mansoni transcription factor LCR-F1 0.0254 0.1576 0.1576
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0063 0.0267 0.1754
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0108 0.0261
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0039 0.0039
Schistosoma mansoni thyroid hormone receptor 0.0681 0.4495 0.4495
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0007 0.0017
Schistosoma mansoni tar DNA-binding protein 0.0399 0.2563 0.2563
Entamoeba histolytica hypothetical protein 0.0254 0.1576 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0051 0.0183 0.0183
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0631 0.4148 0.4148
Echinococcus granulosus beta LACTamase domain containing family member 0.0219 0.1333 0.1333
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.0378 0.1047
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0026 0.0015 0.0009
Echinococcus granulosus peptidase Clp S14 family 0.0052 0.0192 0.0192
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0045 0.0084
Onchocerca volvulus 0.0235 0.1441 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0084 0.0413 0.1122
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0027 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0051 0.0183 0.0467
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0108 0.0261
Mycobacterium tuberculosis Conserved protein 0.0219 0.1333 0.1413
Loa Loa (eye worm) phosphatidylinositol 3 0.0063 0.0267 0.0683
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.1247 0.3186
Echinococcus granulosus histone acetyltransferase KAT2B 0.0278 0.174 0.174
Loa Loa (eye worm) hypothetical protein 0.0039 0.0102 0.026
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0051 0.0187 0.1148
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.003 0.0041 0.0041
Echinococcus multilocularis FTZ F1 alpha 0.0051 0.0183 0.0183
Entamoeba histolytica hypothetical protein 0.0254 0.1576 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0063 0.0134
Schistosoma mansoni tar DNA-binding protein 0.0399 0.2563 0.2563
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0051 0.0183 0.0183
Echinococcus granulosus lamin dm0 0.008 0.0386 0.0386
Toxoplasma gondii target of rapamycin (TOR), putative 0.004 0.0108 0.0645
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0219 0.1333 0.1333
Echinococcus multilocularis peptidase Clp (S14 family) 0.0052 0.0192 0.0192
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0051 0.0183 0.0467
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0137 0.0771 0.0771
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0007 0.0017
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0045 0.0083
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0112 0.0605 0.0605
Echinococcus granulosus GPCR family 2 0.0112 0.0605 0.0605
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.021 0.1269 0.3243
Plasmodium falciparum histone acetyltransferase GCN5 0.0077 0.0365 0.9623
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.003 0.0041 0.0041
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0051 0.0183 0.0183
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.003 0.0041 0.0257
Brugia malayi MH1 domain containing protein 0.0041 0.0114 0.0292
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0061 0.0129
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0108 0.0261
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0051 0.0183 0.0183
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0187 0.0484
Loa Loa (eye worm) hypothetical protein 0.0051 0.0183 0.0467
Mycobacterium ulcerans beta-lactamase 0.0219 0.1333 0.374
Loa Loa (eye worm) hypothetical protein 0.0219 0.1333 0.3408
Brugia malayi MH2 domain containing protein 0.0041 0.0114 0.0292
Trichomonas vaginalis D-aminoacylase, putative 0.0219 0.1333 0.3724
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0108 0.0261
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0355 0.2266 0.5793
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0079 0.0179
Leishmania major phosphatidylinositol 3-kinase, putative 0.003 0.0041 0.0256
Schistosoma mansoni steroid hormone receptor ad4bp 0.0051 0.0183 0.0183
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0124 0.0306
Entamoeba histolytica hypothetical protein 0.0167 0.098 0.6206
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.003 0.0041 0.0217
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.021 0.1269 0.3542
Echinococcus granulosus ferritin 0.0026 0.0015 0.0015
Echinococcus granulosus smad 0.0041 0.0114 0.0114
Onchocerca volvulus 0.02 0.1201 0.8333
Schistosoma mansoni RAR-like nuclear receptor 0.0051 0.0183 0.0183
Entamoeba histolytica hypothetical protein 0.0254 0.1576 1
Brugia malayi MH1 domain containing protein 0.0041 0.0114 0.0292
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0051 0.0187 0.1148
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.0378 0.5
Loa Loa (eye worm) hypothetical protein 0.0355 0.2266 0.5793
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0084 0.0413 0.2972
Echinococcus multilocularis Smad4 0.0041 0.0114 0.0114
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0051 0.0183 0.0467
Brugia malayi TAR-binding protein 0.0399 0.2563 0.6551
Loa Loa (eye worm) hypothetical protein 0.0079 0.0376 0.0961
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0079 0.0378 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0039 0.0039
Schistosoma mansoni coup transcription factor 0.0051 0.0183 0.0183
Schistosoma mansoni retinoic acid receptor RXR 0.0051 0.0183 0.0183
Brugia malayi intermediate filament protein 0.008 0.0386 0.0987
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0039 0.0102 0.0102
Schistosoma mansoni nuclear hormone receptor 0.0051 0.0183 0.0183
Schistosoma mansoni hypothetical protein 0.0254 0.1576 0.1576
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0051 0.0183 0.0183
Loa Loa (eye worm) hypothetical protein 0.0219 0.1333 0.3408
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0051 0.0183 0.0467
Echinococcus multilocularis Zinc finger, PHD finger 0.003 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0027 0.002 0.005
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0042 0.0124 0.0885
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0061 0.0129
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0103 0.0538 1
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.003 0.0041 0.0104
Schistosoma mansoni Smad4 0.0041 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.0219 0.1333 0.3408
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0051 0.0183 0.0467
Onchocerca volvulus 0.0025 0.0007 0.0046
Schistosoma mansoni tar DNA-binding protein 0.0399 0.2563 0.2563
Loa Loa (eye worm) hypothetical protein 0.0073 0.0334 0.0854
Leishmania major hypothetical protein, conserved 0.0219 0.1333 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0051 0.0187 0.0187
Brugia malayi steroid hormone receptor 0.0051 0.0183 0.0467
Echinococcus granulosus histone acetyltransferase KAT2B 0.0084 0.0413 0.0413
Plasmodium falciparum phosphatidylinositol 3-kinase 0.003 0.0041 0.049
Schistosoma mansoni ferritin 0.0026 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0243 0.1498 0.3828
Mycobacterium tuberculosis Probable hydrolase 0.0219 0.1333 0.1413
Onchocerca volvulus Bile acid receptor homolog 0.0051 0.0183 0.1269
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.008 0.0386 0.0987
Trichomonas vaginalis glutaminase, putative 0.0544 0.3554 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0051 0.0183 0.1269
Loa Loa (eye worm) phosphatidylinositol 3 0.0349 0.2224 0.5686
Brugia malayi nuclear receptor RXR 0.0027 0.002 0.005
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0145 0.0827 0.2292
Schistosoma mansoni hypothetical protein 0.0112 0.0605 0.0605
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0051 0.0183 0.0183
Trichomonas vaginalis set domain proteins, putative 0.0235 0.1441 0.4029
Loa Loa (eye worm) hypothetical protein 0.0025 0.0007 0.0017
Brugia malayi Steroid receptor seven-up type 2 0.0051 0.0183 0.0467
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.003 0.0041 0.0217
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0085 0.0197
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0124 0.0306
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0072 0.0329 0.243
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0072 0.0329 0.0329
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0084 0.0413 0.1122
Brugia malayi acetyltransferase, GNAT family protein 0.0286 0.1795 0.4588
Loa Loa (eye worm) MH2 domain-containing protein 0.0596 0.3912 1
Schistosoma mansoni glutaminase 0.0544 0.3554 0.3554
Echinococcus multilocularis tumor protein p63 0.1364 0.9159 0.9159
Loa Loa (eye worm) hypothetical protein 0.0079 0.0378 0.0966
Echinococcus granulosus FTZ F1 alpha 0.0051 0.0183 0.0183
Echinococcus multilocularis GPCR, family 2 0.0112 0.0605 0.0605
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0051 0.0183 0.0467
Echinococcus multilocularis ferritin 0.0026 0.0015 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0124 0.0306
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0079 0.0378 0.0378
Loa Loa (eye worm) MH2 domain-containing protein 0.0041 0.0114 0.0292
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0072 0.0329 0.2055
Echinococcus granulosus Smad4 0.0041 0.0114 0.0114
Echinococcus multilocularis neuropeptide receptor 0.0103 0.0542 0.0542
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0084 0.0413 0.2972
Loa Loa (eye worm) hypothetical protein 0.0037 0.0092 0.0235
Schistosoma mansoni thyroid hormone receptor 0.0681 0.4495 0.4495
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0219 0.1333 0.1333
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0286 0.1795 0.1795
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0631 0.4148 0.4148
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0051 0.0183 0.0467
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0051 0.0183 0.0183
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0027 0.002 0.005
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.003 0.0041 0.0041
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0187 0.0484
Loa Loa (eye worm) hypothetical protein 0.0051 0.0183 0.0467
Schistosoma mansoni phosphatidylinositol 4-kinase 0.003 0.0041 0.0041
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.003 0.0041 0.0256
Mycobacterium leprae conserved hypothetical protein 0.0219 0.1333 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0051 0.0183 0.0183
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0286 0.1795 0.1795
Onchocerca volvulus 0.0219 0.1333 0.9251
Mycobacterium ulcerans lipase LipD 0.0219 0.1333 0.374
Schistosoma mansoni lamin 0.008 0.0386 0.0386
Schistosoma mansoni ferritin 0.0026 0.0015 0.0015
Schistosoma mansoni hypothetical protein 0.0243 0.1498 0.1498
Brugia malayi hypothetical protein 0.0254 0.1576 0.4028
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0051 0.0183 0.0467
Loa Loa (eye worm) beta-lactamase 0.0219 0.1333 0.3408
Loa Loa (eye worm) hypothetical protein 0.0153 0.0883 0.2256
Schistosoma mansoni ferritin 0.0026 0.0015 0.0015
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0039 0.0039
Trichomonas vaginalis esterase, putative 0.0219 0.1333 0.3724
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0051 0.0183 0.0183
Schistosoma mansoni apoferritin-2 0.0026 0.0015 0.0015
Schistosoma mansoni ferritin light chain 0.0026 0.0015 0.0015
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0051 0.0183 0.0467
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.021 0.1269 0.9501
Echinococcus multilocularis beta LACTamase domain containing family member 0.0219 0.1333 0.1333
Brugia malayi photoreceptor-specific nuclear receptor 0.0051 0.0183 0.0467
Echinococcus granulosus TGF beta signal transducer SmadC 0.0041 0.0114 0.0114
Schistosoma mansoni hypothetical protein 0.0112 0.0605 0.0605
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0219 0.1333 0.3408
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0052 0.0192 0.1394
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0182 0.1081 0.2762
Loa Loa (eye worm) hypothetical protein 0.0219 0.1333 0.3408
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0063 0.0134
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0124 0.0306
Mycobacterium ulcerans glutaminase 0.0544 0.3554 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.003 0.0041 0.0133
Loa Loa (eye worm) steroid hormone receptor 0.0051 0.0183 0.0467
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0112 0.0605 0.0605
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0072 0.0329 0.0886
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0079 0.0378 0.2799
Mycobacterium leprae Probable lipase LipE 0.0219 0.1333 1
Plasmodium vivax SET domain protein, putative 0.003 0.0039 0.012
Loa Loa (eye worm) hypothetical protein 0.0027 0.002 0.005
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0254 0.1576 0.1576
Mycobacterium tuberculosis Probable esterase LipL 0.0219 0.1333 0.1413
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0072 0.0329 0.0886
Loa Loa (eye worm) hypothetical protein 0.0051 0.0183 0.0467
Brugia malayi latrophilin 2 splice variant baaae 0.0243 0.1498 0.3828
Echinococcus multilocularis microtubule associated protein 2 0.1487 1 1
Schistosoma mansoni ferritin 0.0026 0.0015 0.0015
Echinococcus granulosus expressed protein 0.0026 0.0015 0.0015
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.003 0.0041 0.0133
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0023 0.0216
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0045 0.0084
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0142 0.0357
Brugia malayi Nuclear hormone receptor-like 1 0.0027 0.002 0.005
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0051 0.0187 0.0004
Schistosoma mansoni smad1 5 8 and 0.0041 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.0219 0.1333 0.3408
Brugia malayi Calcitonin receptor-like protein seb-1 0.0355 0.2266 0.5793
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0026 0.0015 0.0009
Brugia malayi Latrophilin receptor protein 2 0.0112 0.0605 0.1548
Brugia malayi MH2 domain containing protein 0.0596 0.3912 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0072 0.0329 0.0886
Mycobacterium tuberculosis Probable lipase LipD 0.0219 0.1333 0.1413
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0051 0.0183 0.0467
Schistosoma mansoni cellular tumor antigen P53 0.02 0.1201 0.1201
Schistosoma mansoni tar DNA-binding protein 0.0399 0.2563 0.2563
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0124 0.0306
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0052 0.0192 0.0197
Loa Loa (eye worm) hypothetical protein 0.0027 0.002 0.005
Brugia malayi nuclear hormone receptor 0.0051 0.0183 0.0467
Loa Loa (eye worm) MH1 domain-containing protein 0.0041 0.0114 0.0292
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0051 0.0183 0.0183
Brugia malayi hypothetical protein 0.0027 0.002 0.005
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0095 0.0483 0.3035
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0051 0.0183 0.0467
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0027 0.0024 0.0134
Echinococcus multilocularis tar DNA binding protein 0.0399 0.2563 0.2563
Brugia malayi nuclear receptor NHR-88 0.0051 0.0183 0.0467
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0063 0.0134
Loa Loa (eye worm) hypothetical protein 0.003 0.0039 0.01
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0108 0.0261

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1413 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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