Detailed information for compound 31481

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 570.697 | Formula: C37H30O4S
  • H donors: 1 H acceptors: 2 LogP: 9.68 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1)Cc1sc2c(c1c1ccc(cc1)c1ccc(cc1)OC(C(=O)O)Cc1ccccc1)cccc2
  • InChi: 1S/C37H30O4S/c1-40-30-19-11-26(12-20-30)24-35-36(32-9-5-6-10-34(32)42-35)29-15-13-27(14-16-29)28-17-21-31(22-18-28)41-33(37(38)39)23-25-7-3-2-4-8-25/h2-22,33H,23-24H2,1H3,(H,38,39)
  • InChiKey: RPKFDAKJPCPGAN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica hypothetical protein 0.0078 0.0859 1
Brugia malayi Cytochrome P450 family protein 0.002 0.0061 0.0108
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0463 0.0448
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0333 0.0936
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0423 0.5643 1
Echinococcus granulosus p2X purinoceptor 4 0.0314 0.4138 0.4128
Mycobacterium ulcerans putative regulatory protein 0.0039 0.0319 0.0639
Echinococcus multilocularis tumor protein p63 0.0373 0.4942 0.4934
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0242 0.3136
Echinococcus multilocularis geminin 0.0181 0.2295 0.2282
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0231 0.0636
Schistosoma mansoni intermediate filament proteins 0.0029 0.0185 0.0169
Loa Loa (eye worm) hypothetical protein 0.0054 0.0535 0.0948
Schistosoma mansoni hypothetical protein 0.0078 0.0859 0.0844
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0332 0.0932
Trypanosoma cruzi ribonuclease H1, putative 0.0022 0.0096 0.1285
Loa Loa (eye worm) orotate phosphoribosyltransferase 0.0062 0.0637 0.113
Schistosoma mansoni hypothetical protein 0.0181 0.2295 0.2282
Schistosoma mansoni hypothetical protein 0.0017 0.0023 0.0007
Onchocerca volvulus 0.0331 0.4369 0.5772
Echinococcus granulosus GPCR family 2 0.0017 0.0023 0.0007
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0039 0.0332 0.0671
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0333 0.5098
Schistosoma mansoni phosphoglucomutase 0.0022 0.0096 0.008
Echinococcus granulosus mitogen activated protein kinase 0.0056 0.0558 0.0542
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0328
Schistosoma mansoni transcription factor LCR-F1 0.0078 0.0859 0.0844
Onchocerca volvulus 0.0033 0.0242 0.0197
Echinococcus multilocularis p2X purinoceptor 4 0.0314 0.4138 0.4128
Schistosoma mansoni aryl hydrocarbon receptor 0.0052 0.0506 0.0491
Trypanosoma brucei ingi protein (ORF1) 0.0024 0.0122 0.0266
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0035 0.0276 0.0531
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0035 0.0276 0.3723
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0312 0.41 1
Brugia malayi RNase H family protein 0.0022 0.0096 0.017
Trypanosoma cruzi target of rapamycin kinase 3 0.0039 0.0332 0.5088
Schistosoma mansoni hypothetical protein 0.002 0.0061 0.0045
Leishmania major cytochrome p450-like protein 0.002 0.0061 0.0721
Trypanosoma cruzi cytochrome p450-like protein, putative 0.002 0.0061 0.0721
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0185 0.0328
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0039 0.0332 0.5088
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0296 0.0827
Brugia malayi Pre-SET motif family protein 0.023 0.2962 0.5249
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.005 0.0472 0.7337
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0156 0.0415
Onchocerca volvulus 0.0261 0.3401 0.4465
Brugia malayi hypoxia-induced factor 1 0.0161 0.2015 0.3571
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0156 0.0415
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.005 0.0472 0.0457
Giardia lamblia GTOR 0.005 0.0472 0.8146
Plasmodium vivax orotidine 5'-phosphate decarboxylase, putative 0.0062 0.0637 0.1025
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0056 0.0558 0.1357
Onchocerca volvulus 0.0055 0.0541 0.0601
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0156 0.0413
Entamoeba histolytica fatty acid elongase, putative 0.004 0.0346 0.0258
Schistosoma mansoni phosphoglucomutase 0.0022 0.0096 0.008
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0463 0.0821
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0196 0.0531
Entamoeba histolytica hypothetical protein 0.0078 0.0859 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0156 0.0415
Loa Loa (eye worm) hypothetical protein 0.0033 0.0242 0.0428
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.005 0.0472 0.7337
Loa Loa (eye worm) inositol-1 0.004 0.0333 0.059
Brugia malayi Inositol-1 0.004 0.0333 0.059
Brugia malayi RNase H family protein 0.0022 0.0096 0.017
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.002 0.0061 0.0721
Loa Loa (eye worm) hypothetical protein 0.0028 0.0178 0.0315
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0192 0.0519
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0156 0.0413
Echinococcus granulosus p2X purinoceptor 4 0.0314 0.4138 0.4128
Trichomonas vaginalis set domain proteins, putative 0.0261 0.3401 1
Mycobacterium ulcerans orotidine 5'-phosphate decarboxylase 0.0062 0.0637 0.1427
Schistosoma mansoni P2X receptor subunit 0.0314 0.4138 0.4128
Loa Loa (eye worm) phosphatidylinositol 3 0.005 0.0472 0.0836
Schistosoma mansoni single-minded 0.0052 0.0506 0.0491
Brugia malayi Pre-SET motif family protein 0.0033 0.0242 0.0428
Echinococcus granulosus tumor protein p63 0.0373 0.4942 0.4934
Entamoeba histolytica fatty acid elongase, putative 0.004 0.0346 0.0258
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0078 0.0859 0.0844
Schistosoma mansoni microtubule-associated protein tau 0.0738 1 1
Onchocerca volvulus 0.0029 0.0185 0.0121
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0056 0.0558 0.8715
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0225 0.0209
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0024 0.0122 0.0266
Echinococcus granulosus p2X purinoceptor 4 0.0314 0.4138 0.4128
Brugia malayi MAP kinase sur-1 0.0056 0.0558 0.0988
Loa Loa (eye worm) hypoxia-induced factor 1 0.0161 0.2015 0.3571
Schistosoma mansoni orotidine 5'-phosphate decarboxylase 0.0062 0.0637 0.0622
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0296 0.0827
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0246 0.068
Entamoeba histolytica fatty acid elongase, putative 0.004 0.0346 0.0258
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.005 0.0472 0.2644
Trypanosoma cruzi ribonuclease H1, putative 0.0022 0.0096 0.1285
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0023 0.0041
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0558 0.1599
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.005 0.0472 0.0457
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0185 0.0328
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0535 0.0948
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0333 0.5098
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0192 0.0519
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0535 0.0948
Loa Loa (eye worm) cytochrome P450 family protein 0.0084 0.0952 0.1687
Entamoeba histolytica hypothetical protein 0.0078 0.0859 1
Echinococcus multilocularis transfer RNA-Lys 0.0039 0.0319 0.0304
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0463 0.0448
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0023 0.0007
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0558 0.1599
Schistosoma mansoni cytochrome P450 0.002 0.0061 0.0045
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0023 0.0007
Brugia malayi Protein kinase domain containing protein 0.0405 0.5392 0.9556
Brugia malayi hypothetical protein 0.0175 0.2202 0.3903
Loa Loa (eye worm) hypothetical protein 0.0055 0.0541 0.0959
Trypanosoma brucei orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0062 0.0637 0.1557
Schistosoma mansoni lamin 0.0029 0.0185 0.0169
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0062 0.0637 1
Echinococcus granulosus geminin 0.0181 0.2295 0.2282
Echinococcus multilocularis ribonuclease H1 0.0022 0.0096 0.008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0156 0.0415
Schistosoma mansoni hypothetical protein 0.0037 0.0298 0.0282
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.004 0.0333 0.0673
Toxoplasma gondii target of rapamycin (TOR), putative 0.0037 0.0296 0.4082
Schistosoma mansoni hypothetical protein 0.0017 0.0023 0.0007
Echinococcus multilocularis mitogen activated protein kinase 0.0056 0.0558 0.0542
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0423 0.5643 0.5636
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.004 0.0333 0.4717
Schistosoma mansoni inositol monophosphatase 0.004 0.0333 0.0317
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0242 0.0226
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0463 0.0448
Loa Loa (eye worm) phosphatidylinositol 3 0.0017 0.0016 0.0029
Echinococcus multilocularis 0.002 0.0061 0.0045
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0056 0.0558 0.8715
Brugia malayi hypothetical protein 0.0078 0.0859 0.1522
Schistosoma mansoni serine/threonine protein kinase 0.0056 0.0558 0.0542
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0312 0.41 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0463 0.0448
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.005 0.0472 0.7337
Schistosoma mansoni hypothetical protein 0.0305 0.4006 0.3996
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0312 0.41 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0463 0.0448
Echinococcus granulosus intermediate filament protein 0.0029 0.0185 0.0169
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.005 0.0472 0.1142
Trypanosoma brucei ingi protein (ORF1) 0.0024 0.0122 0.0266
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0558 0.1599
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0023 0.0041
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0056 0.0558 0.8715
Echinococcus granulosus uridine 5' monophosphate synthase 0.0062 0.0637 0.0622
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0039 0.0332 0.0792
Trypanosoma brucei cytochrome P450, putative 0.0039 0.0332 0.0792
Wolbachia endosymbiont of Brugia malayi orotidine-5'-phosphate decarboxylase 0.0619 0.8349 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0463 0.0448
Onchocerca volvulus 0.0039 0.0319 0.0302
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0296 0.0827
Loa Loa (eye worm) cytochrome P450 family protein 0.0039 0.0332 0.0589
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0332 0.0932
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0023 0.0007
Brugia malayi Cytochrome P450 family protein 0.0039 0.0332 0.0589
Loa Loa (eye worm) hypothetical protein 0.0331 0.4369 0.7742
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0296 0.0827
Echinococcus multilocularis musashi 0.0029 0.0185 0.0169
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0062 0.0637 1
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0423 0.5643 0.5636
Echinococcus multilocularis inositol monophosphatase 1 0.004 0.0333 0.0317
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0242 0.0226
Loa Loa (eye worm) MH2 domain-containing protein 0.0132 0.1608 0.285
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0242 0.0226
Schistosoma mansoni P2X receptor subunit 0.0314 0.4138 0.4128
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0332 0.0932
Echinococcus multilocularis lamin 0.0029 0.0185 0.0169
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0332 0.0932
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0242 0.0226
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0062 0.0637 1
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0312 0.41 1
Loa Loa (eye worm) camk/mapkapk/mnk protein kinase 0.0405 0.5392 0.9556
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.004 0.0333 0.0287
Brugia malayi bHLH-PAS transcription factor 0.0039 0.0319 0.0566
Echinococcus granulosus cytochrome P450 2K1 0.002 0.0061 0.0045
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0558 0.1599
Giardia lamblia Kinase, CMGC MAPK 0.0056 0.0558 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0472 0.1347
Echinococcus multilocularis GPCR, family 2 0.0017 0.0023 0.0007
Trypanosoma brucei hypothetical protein, conserved 0.0024 0.0122 0.0266
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0185 0.0328
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0023 0.0041
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.005 0.0472 0.0457
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0472 0.1347
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0312 0.41 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0463 0.0448
Schistosoma mansoni P2X receptor subunit 0.0314 0.4138 0.4128
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0242 0.0226
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0023 0.011 0.0236
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.005 0.0472 0.2644
Treponema pallidum ribonuclease H (rnhA) 0.0022 0.0096 0.5
Echinococcus multilocularis microtubule associated protein 2 0.0738 1 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0242 0.0226
Echinococcus multilocularis p2X purinoceptor 4 0.0314 0.4138 0.4128
Leishmania major ribonuclease H1, putative 0.0022 0.0096 0.1285
Brugia malayi PAS domain containing protein 0.0052 0.0506 0.0897
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0296 0.0827
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0023 0.0007
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0463 0.0821
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0333 0.5098
Toxoplasma gondii ribonuclease HI protein 0.0022 0.0096 0.0608
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.005 0.0472 0.0836
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0312 0.41 1
Trypanosoma cruzi cytochrome P450, putative 0.0039 0.0332 0.5087
Echinococcus granulosus lamin 0.0029 0.0185 0.0169
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.002 0.0061 0.0721
Loa Loa (eye worm) hypothetical protein 0.0037 0.0298 0.0528
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0312 0.41 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0021 0.0071 0.0137
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0298 0.0528
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0372 0.105
Mycobacterium leprae Probable orotidine 5'-phosphate decarboxylase PyrF (OMP decarboxylase) (OMPDCase) (OMPdecase) 0.0062 0.0637 1
Brugia malayi orotate phosphoribosyltransferase family protein 0.0062 0.0637 0.113
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.005 0.0472 0.7337
Brugia malayi RNase H family protein 0.0022 0.0096 0.017
Trypanosoma cruzi cytochrome P450, putative 0.0039 0.0332 0.5087
Echinococcus multilocularis lamin dm0 0.0029 0.0185 0.0169
Brugia malayi Cytochrome P450 family protein 0.0084 0.0952 0.1687
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.002 0.0061 0.0112
Loa Loa (eye worm) hypothetical protein 0.0175 0.2202 0.3903
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.005 0.0472 0.1142
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0196 0.0531
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0332 0.0932
Brugia malayi cytochrome P450 0.002 0.0061 0.0108
Schistosoma mansoni P2X receptor subunit 0.0314 0.4138 0.4128
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0078 0.0859 0.0844
Brugia malayi intermediate filament protein 0.0029 0.0185 0.0328
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0296 0.0827
Leishmania major orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative,OMPDCase-OPRTase, putative 0.0062 0.0637 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0423 0.5643 0.5636
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0056 0.0558 0.0988
Echinococcus granulosus ribonuclease H1 0.0022 0.0096 0.008
Schistosoma mansoni inositol monophosphatase 0.004 0.0333 0.0317
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0196 0.0531
Brugia malayi MH2 domain containing protein 0.0132 0.1608 0.285
Entamoeba histolytica fatty acid elongase, putative 0.004 0.0346 0.0258
Leishmania major cytochrome p450-like protein 0.0039 0.0332 0.5087
Loa Loa (eye worm) hypothetical protein 0.0017 0.0023 0.0041
Loa Loa (eye worm) cytochrome P450 0.002 0.0061 0.0108
Entamoeba histolytica hypothetical protein 0.0078 0.0859 1
Echinococcus multilocularis p2X purinoceptor 4 0.0314 0.4138 0.4128
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0423 0.5643 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0039 0.0332 0.0589
Schistosoma mansoni lamin 0.0029 0.0185 0.0169
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0056 0.0558 0.8715
Schistosoma mansoni hypothetical protein 0.0017 0.0023 0.0007
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0333 0.0794
Trypanosoma brucei unspecified product 0.0024 0.0122 0.0266
Schistosoma mansoni cellular tumor antigen P53 0.0055 0.0541 0.0526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0296 0.0827
Brugia malayi hypothetical protein 0.0331 0.4369 0.7742
Entamoeba histolytica fatty acid elongase, putative 0.004 0.0346 0.0258
Schistosoma mansoni hypothetical protein 0.0017 0.0023 0.0007
Loa Loa (eye worm) CYP4Cod1 0.0039 0.0332 0.0589
Schistosoma mansoni phosphoglucomutase 0.0022 0.0096 0.008
Toxoplasma gondii orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase 0.0062 0.0637 1
Echinococcus granulosus single minded 2 0.0039 0.0319 0.0304
Brugia malayi Cytochrome P450 family protein 0.0039 0.0332 0.0589
Trichomonas vaginalis inositol monophosphatase, putative 0.004 0.0333 0.0936
Trypanosoma brucei protein kinase, putative 0.0056 0.0558 0.1357
Echinococcus granulosus inositol monophosphatase 1 0.004 0.0333 0.0317
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0056 0.0558 0.8615
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0535 0.0948
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0242 0.0226
Trichomonas vaginalis ribonuclease H1, putative 0.0022 0.0096 0.0236
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0333 0.0936
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.023 0.2962 0.5249
Trypanosoma brucei ribonuclease H1 0.0022 0.0096 0.02
Echinococcus multilocularis mitogen activated protein kinase 3 0.0056 0.0558 0.0542
Trypanosoma brucei RNA helicase, putative 0.0305 0.4006 1
Onchocerca volvulus 0.0029 0.0185 0.0121
Echinococcus granulosus lamin dm0 0.0029 0.0185 0.0169
Onchocerca volvulus 0.0557 0.7498 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0156 0.0413
Echinococcus granulosus mitogen activated protein kinase 3 0.0056 0.0558 0.0542
Leishmania major cytochrome p450-like protein 0.002 0.0061 0.0721
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0056 0.0558 0.8715
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0056 0.0558 0.8715
Leishmania major lanosterol 14-alpha-demethylase, putative 0.002 0.0061 0.0721
Schistosoma mansoni hypothetical protein 0.0181 0.2295 0.2282
Echinococcus multilocularis uridine 5' monophosphate synthase 0.0062 0.0637 0.0622
Loa Loa (eye worm) hypothetical protein 0.002 0.0057 0.0102
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0472 0.1347
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0312 0.41 0.4852
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0017 0.0016 0.0029
Loa Loa (eye worm) transcription factor SMAD2 0.0132 0.1608 0.285

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.077 uM In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B) ChEMBL. 10753467

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.