Detailed information for compound 1580522

Basic information

Technical information
  • TDR Targets ID: 1580522
  • Name: 3-[3-tert-butylsulfanyl-5-(pyridin-2-ylmethox y)-1-[[4-(1,3-thiazol-2-yl)phenyl]methyl]indo l-2-yl]-2,2-dimethylpropanoic acid
  • MW: 585.779 | Formula: C33H35N3O3S2
  • H donors: 1 H acceptors: 4 LogP: 6.94 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)C(Cc1n(Cc2ccc(cc2)c2nccs2)c2c(c1SC(C)(C)C)cc(cc2)OCc1ccccn1)(C)C
  • InChi: 1S/C33H35N3O3S2/c1-32(2,3)41-29-26-18-25(39-21-24-8-6-7-15-34-24)13-14-27(26)36(28(29)19-33(4,5)31(37)38)20-22-9-11-23(12-10-22)30-35-16-17-40-30/h6-18H,19-21H2,1-5H3,(H,37,38)
  • InChiKey: GRQYMCJQVKMJAT-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-[3-tert-butylsulfanyl-5-(2-pyridylmethoxy)-1-[(4-thiazol-2-ylphenyl)methyl]indol-2-yl]-2,2-dimethyl-propanoic acid
  • 3-[3-(tert-butylthio)-5-(2-pyridylmethoxy)-1-[[4-(2-thiazolyl)phenyl]methyl]-2-indolyl]-2,2-dimethylpropanoic acid
  • 3-[3-(tert-butylthio)-5-(2-pyridylmethoxy)-1-(4-thiazol-2-ylbenzyl)indol-2-yl]-2,2-dimethyl-propionic acid
  • 3-[3-tert-butylsulfanyl-5-(pyridin-2-ylmethoxy)-1-[[4-(1,3-thiazol-2-yl)phenyl]methyl]indol-2-yl]-2,2-dimethyl-propanoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens arachidonate 5-lipoxygenase-activating protein Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 2, subfamily D, polypeptide 6 Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni aryl hydrocarbon receptor 0.0051 0.029 0.03
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0039 0.0116 0.5477
Brugia malayi Peptidase family M1 containing protein 0.0039 0.0116 0.0116
Schistosoma mansoni nuclear hormone receptor 0.0031 0.0003 0.0003
Onchocerca volvulus Protein ultraspiracle homolog 0.0065 0.0477 1
Schistosoma mansoni nuclear receptor nhr-48 0.0031 0.0003 0.0003
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0031 0.0003 0.0003
Schistosoma mansoni endoplasmin 0.0046 0.0212 0.0219
Echinococcus multilocularis thyroid hormone receptor alpha 0.0065 0.0477 0.0477
Leishmania major heat shock protein 83-1 0.0046 0.0212 1
Leishmania major heat shock protein 83-1 0.0046 0.0212 1
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0732 0.9683 0.9683
Brugia malayi hypothetical protein 0.0039 0.0116 0.0116
Trypanosoma brucei heat shock protein, putative 0.0046 0.0212 1
Loa Loa (eye worm) peptidase family M1 containing protein 0.0039 0.0116 0.0116
Echinococcus granulosus heat shock protein 90 0.0039 0.0121 0.0121
Leishmania major heat shock protein 83-1 0.0046 0.0212 1
Brugia malayi hypothetical protein 0.0034 0.0054 0.0054
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0065 0.0477 0.0477
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0039 0.0116 0.5477
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0034 0.0054 0.0054
Schistosoma mansoni hypothetical protein 0.0034 0.005 0.0052
Loa Loa (eye worm) hypothetical protein 0.0031 0.0003 0.0003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0065 0.0477 0.0477
Loa Loa (eye worm) endoplasmin 0.0046 0.0212 0.0212
Loa Loa (eye worm) hypothetical protein 0.0039 0.0116 0.0116
Schistosoma mansoni steroid hormone receptor ad4bp 0.0065 0.0477 0.0492
Trypanosoma brucei heat shock protein, putative 0.0046 0.0212 1
Loa Loa (eye worm) DR-78 0.0031 0.0003 0.0003
Entamoeba histolytica hypothetical protein 0.0036 0.0076 0.36
Brugia malayi Nuclear hormone receptor E75 0.0031 0.0003 0.0003
Onchocerca volvulus Bile acid receptor homolog 0.0065 0.0477 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.0046 0.0212 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0034 0.0054 0.0054
Trichomonas vaginalis heat shock protein, putative 0.0043 0.0174 0.776
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0076 0.0076
Echinococcus granulosus heat shock protein 90 0.0046 0.0212 0.0212
Brugia malayi tailless protein 0.0031 0.0003 0.0003
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0031 0.0003 0.0059
Loa Loa (eye worm) hypothetical protein 0.0065 0.0477 0.0477
Plasmodium vivax endoplasmin, putative 0.0046 0.0212 0.1074
Brugia malayi steroid hormone receptor 0.0065 0.0477 0.0477
Echinococcus granulosus single minded 2 0.0038 0.0106 0.0106
Onchocerca volvulus 0.0052 0.0302 0.6335
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0755 1 1
Schistosoma mansoni survival motor neuron protein 0.0051 0.0284 0.0293
Trypanosoma cruzi heat shock protein 85, putative 0.0046 0.0212 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0039 0.0116 0.0116
Schistosoma mansoni coup transcription factor 0.0065 0.0477 0.0492
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0065 0.0477 0.0477
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0065 0.0477 0.0492
Loa Loa (eye worm) hypothetical protein 0.0034 0.0054 0.0054
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0211 0.0218
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0065 0.0477 0.0477
Leishmania major heat shock protein 83-1 0.0046 0.0212 1
Brugia malayi Endoplasmin precursor 0.0046 0.0212 0.0212
Loa Loa (eye worm) hypothetical protein 0.0065 0.0477 0.0477
Trichomonas vaginalis heat shock protein, putative 0.0046 0.0212 1
Trypanosoma brucei Heat shock protein 83, putative 0.0046 0.0212 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0755 1 1
Trypanosoma brucei aminopeptidase, putative 0.0039 0.0116 0.5477
Echinococcus multilocularis FTZ F1 alpha 0.0065 0.0477 0.0477
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0043 0.0174 0.817
Brugia malayi hypothetical protein 0.0039 0.0116 0.0116
Echinococcus granulosus microsomal glutathione S transferase 3 0.0135 0.1444 0.1444
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0065 0.0477 0.0477
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0039 0.0116 0.0399
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0039 0.0116 0.5477
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0065 0.0477 0.0477
Schistosoma mansoni retinoic acid receptor RXR 0.0065 0.0477 0.0492
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0211 0.0218
Echinococcus multilocularis endoplasmin 0.0043 0.0174 0.0174
Trypanosoma brucei Aminopeptidase M1, putative 0.0039 0.0116 0.5477
Loa Loa (eye worm) hypothetical protein 0.0034 0.0054 0.0054
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0065 0.0477 0.0477
Brugia malayi Peptidase family M1 containing protein 0.0039 0.0116 0.0116
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0065 0.0477 0.0477
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0039 0.0116 0.0116
Loa Loa (eye worm) nuclear hormone receptor 0.0031 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0031 0.0003 0.0003
Brugia malayi hypoxia-induced factor 1 0.0159 0.1779 0.1779
Leishmania major heat shock protein 83-1 0.0046 0.0212 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0039 0.0116 0.0116
Brugia malayi hypothetical protein 0.0337 0.4225 0.4225
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0211 0.0211
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0039 0.0116 0.5477
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0031 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0031 0.0003 0.0003
Schistosoma mansoni nuclear hormone receptor 0.0065 0.0477 0.0492
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0268 0.0268
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0211 0.0211
Leishmania major heat shock protein 83-1 0.0046 0.0212 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0065 0.0477 0.0477
Brugia malayi Steroid receptor seven-up type 2 0.0065 0.0477 0.0477
Entamoeba histolytica heat shock protein 90, putative 0.0046 0.0212 1
Onchocerca volvulus 0.0039 0.0116 0.244
Entamoeba histolytica hypothetical protein 0.0036 0.0076 0.36
Loa Loa (eye worm) TATA binding protein associated factor 0.0039 0.0116 0.0116
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0065 0.0477 0.0477
Brugia malayi heat shock protein 90 0.0046 0.0212 0.0212
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0065 0.0477 0.0477
Echinococcus multilocularis ecdysone induced protein 78C 0.0065 0.0477 0.0477
Leishmania major heat shock protein 83-1 0.0046 0.0212 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0046 0.0212 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0065 0.0477 1
Brugia malayi nuclear hormone receptor 0.0065 0.0477 0.0477
Toxoplasma gondii aminopeptidase N protein 0.0039 0.0116 0.0588
Echinococcus multilocularis aminopeptidase N 0.0039 0.0116 0.0116
Trypanosoma brucei heat shock protein, putative 0.0046 0.0212 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0031 0.0003 0.0003
Loa Loa (eye worm) aminopeptidase N 0.0039 0.0116 0.0116
Loa Loa (eye worm) cytochrome P450 family protein 0.004 0.0126 0.0126
Trypanosoma brucei heat shock protein, putative 0.0046 0.0212 1
Echinococcus granulosus FTZ F1 alpha 0.0065 0.0477 0.0477
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0031 0.0003 0.0059
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0039 0.0116 0.5477
Mycobacterium ulcerans aminopeptidase N PepN 0.0039 0.0116 0.159
Echinococcus multilocularis geminin 0.017 0.192 0.192
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0003 0.0003
Brugia malayi nuclear hormone receptor 0.0031 0.0003 0.0003
Trypanosoma cruzi aminopeptidase, putative 0.0039 0.0116 0.5477
Echinococcus multilocularis nuclear receptor nhr 48 0.0031 0.0003 0.0003
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0065 0.0477 0.0477
Brugia malayi Nuclear hormone receptor-like 1 0.0065 0.0477 0.0477
Schistosoma mansoni thyroid hormone receptor 0.0065 0.0477 0.0492
Trypanosoma brucei heat shock protein, putative 0.0046 0.0212 1
Leishmania major heat shock protein 83-1 0.0046 0.0212 1
Echinococcus granulosus tumor protein p63 0.0358 0.4515 0.4515
Brugia malayi Nuclear hormone receptor E75 0.0031 0.0003 0.0003
Schistosoma mansoni RAR-like nuclear receptor 0.0065 0.0477 0.0492
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0034 0.0054 0.0054
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0065 0.0477 0.0477
Brugia malayi hypothetical protein 0.0031 0.0003 0.0003
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member 0.0135 0.1444 0.1492
Loa Loa (eye worm) hypothetical protein 0.0034 0.0054 0.0054
Echinococcus granulosus geminin 0.017 0.192 0.192
Loa Loa (eye worm) hypothetical protein 0.0031 0.0003 0.0003
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0039 0.0116 0.5477
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0031 0.0003 0.0003
Echinococcus granulosus survival motor neuron protein 1 0.025 0.3034 0.3034
Toxoplasma gondii MAPEG family protein 0.0135 0.1444 0.7303
Entamoeba histolytica heat shock protein 90, putative 0.0046 0.0212 1
Echinococcus multilocularis tumor protein p63 0.0358 0.4515 0.4515
Echinococcus granulosus nuclear receptor nhr 48 0.0031 0.0003 0.0003
Brugia malayi Cytochrome P450 family protein 0.004 0.0126 0.0126
Leishmania major heat shock protein 83-1 0.0046 0.0212 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0003 0.0003
Leishmania major heat shock protein 83-1 0.0046 0.0212 1
Onchocerca volvulus 0.0051 0.0284 0.596
Brugia malayi TATA binding protein associated factor 0.0039 0.0116 0.0116
Brugia malayi ecdysteroid receptor 0.0065 0.0477 0.0477
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0065 0.0477 0.0477
Schistosoma mansoni heat shock protein 0.0046 0.0212 0.0219
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0284 0.0284
Brugia malayi nuclear hormone receptor family member nhr-6 0.0031 0.0003 0.0003
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0039 0.0116 0.5477
Trypanosoma cruzi aminopeptidase, putative 0.0039 0.0116 0.5477
Brugia malayi nuclear receptor NHR-88 0.0065 0.0477 0.0477
Trypanosoma brucei heat shock protein 90, putative 0.0046 0.0212 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0003 0.0003
Schistosoma mansoni hypothetical protein 0.0051 0.0284 0.0293
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0065 0.0477 0.0477
Echinococcus multilocularis heat shock protein 0.0046 0.0212 0.0212
Leishmania major heat shock protein 83-1 0.0046 0.0212 1
Brugia malayi bHLH-PAS transcription factor 0.0038 0.0106 0.0106
Leishmania major heat shock protein 83-1 0.0046 0.0212 1
Toxoplasma gondii aminopeptidase N, putative 0.0039 0.0116 0.0588
Loa Loa (eye worm) hypothetical protein 0.0065 0.0477 0.0477
Onchocerca volvulus 0.0031 0.0003 0.0059
Brugia malayi PAS domain containing protein 0.0051 0.029 0.029
Trypanosoma brucei Aminopeptidase M1, putative 0.0039 0.0116 0.5477
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0034 0.0054 0.0055
Leishmania major heat shock protein 83-1 0.0046 0.0212 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0031 0.0003 0.0003
Brugia malayi hypothetical protein 0.025 0.3034 0.3034
Mycobacterium ulcerans aminopeptidase N PepN 0.0039 0.0116 0.159
Brugia malayi nuclear hormone receptor family member odr-7 0.0031 0.0003 0.0003
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0755 1 1
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0039 0.0116 0.0588
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.1228 0.1228
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0031 0.0003 0.0003
Echinococcus granulosus Nuclear hormone receptor HR96 0.0031 0.0003 0.0003
Plasmodium vivax heat shock protein, putative 0.0174 0.1978 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0302 0.0302
Loa Loa (eye worm) hypothetical protein 0.0031 0.0003 0.0003
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0721 0.9526 0.9838
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0039 0.0116 0.4463
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0065 0.0477 0.0492
Echinococcus multilocularis heat shock protein 90 0.0039 0.0121 0.0121
Trichomonas vaginalis heat shock protein, putative 0.0043 0.0174 0.776
Brugia malayi nuclear receptor NHR-67 0.0031 0.0003 0.0003
Leishmania major heat shock protein 83-1 0.0046 0.0212 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.0477 0.0477
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0039 0.0116 0.0588
Brugia malayi nuclear receptor RXR 0.0034 0.0054 0.0054
Loa Loa (eye worm) hypoxia-induced factor 1 0.0159 0.1779 0.1779
Schistosoma mansoni nuclear hormone receptor 0.0031 0.0003 0.0003
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0302 0.0312
Schistosoma mansoni thyroid hormone receptor 0.0065 0.0477 0.0492
Trypanosoma brucei heat shock protein 90, putative 0.0046 0.0212 1
Mycobacterium ulcerans heat shock protein 90 0.0043 0.0174 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.0477 0.0477
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0039 0.0116 0.4463
Brugia malayi nuclear receptor RXR 0.0031 0.0003 0.0003
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0031 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0031 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0031 0.0003 0.0003
Echinococcus granulosus leukotriene A 4 hydrolase 0.0732 0.9683 0.9683
Loa Loa (eye worm) hypothetical protein 0.0031 0.0003 0.0003
Onchocerca volvulus 0.0031 0.0003 0.0059
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0065 0.0477 0.0477
Echinococcus multilocularis survival motor neuron protein 1 0.025 0.3034 0.3034
Echinococcus multilocularis heat shock protein 90 0.0046 0.0212 0.0212
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0039 0.0116 0.012
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0076 0.0076
Loa Loa (eye worm) hypothetical protein 0.0065 0.0477 0.0477
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0039 0.0116 0.0116
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0065 0.0477 0.0477
Brugia malayi Peptidase family M1 containing protein 0.0039 0.0116 0.0116
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0065 0.0477 0.0492
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0732 0.9683 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0268 0.0268
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0034 0.0054 0.0055
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0211 0.0211
Loa Loa (eye worm) hypothetical protein 0.0034 0.0054 0.0054
Plasmodium falciparum heat shock protein 90 0.0046 0.0212 0.0895
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0039 0.0116 0.0116
Brugia malayi ecdysone receptor 0.0031 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0173 0.1964 0.1964
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.005 0.005
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0039 0.0116 0.0116
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0039 0.0116 0.0399
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.1228 0.1228
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0065 0.0477 0.0477
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0065 0.0477 0.0477
Brugia malayi hypothetical protein 0.0036 0.0076 0.0076
Loa Loa (eye worm) hypothetical protein 0.0034 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.0031 0.0003 0.0003
Leishmania major heat shock protein 83-1 0.0046 0.0212 1
Trypanosoma brucei heat shock protein, putative 0.0046 0.0212 1
Echinococcus granulosus heat shock protein 0.0046 0.0212 0.0212
Loa Loa (eye worm) hypothetical protein 0.0031 0.0003 0.0003
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0039 0.0116 0.4463
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.0121 0.5696
Treponema pallidum heat shock protein 90 0.0043 0.0174 0.5
Schistosoma mansoni hypothetical protein 0.017 0.192 0.1983
Trypanosoma cruzi Aminopeptidase M1, putative 0.0039 0.0116 0.5477
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0039 0.0116 0.0116
Brugia malayi orphan nuclear receptor NR2E1 0.0031 0.0003 0.0003
Brugia malayi photoreceptor-specific nuclear receptor 0.0065 0.0477 0.0477
Loa Loa (eye worm) nuclear receptor NHR-67 0.0031 0.0003 0.0003
Toxoplasma gondii heat shock protein HSP90 0.0046 0.0212 0.1074
Brugia malayi hypothetical protein 0.0034 0.0054 0.0054
Brugia malayi hypothetical protein 0.0173 0.1964 0.1964
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0039 0.0116 0.0116
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0211 0.0211
Schistosoma mansoni nuclear receptor 0.0031 0.0003 0.0003
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0065 0.0477 0.0477
Schistosoma mansoni endoplasmin 0.0046 0.0212 0.0219
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0065 0.0477 0.0492
Echinococcus granulosus endoplasmin 0.0043 0.0174 0.0174
Loa Loa (eye worm) hypothetical protein 0.025 0.3034 0.3034
Schistosoma mansoni microsomal glutathione s-transferase 0.0135 0.1444 0.1492
Brugia malayi conserved hypotetical protein 0.0031 0.0003 0.0003
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0076 0.0079
Loa Loa (eye worm) steroid hormone receptor 0.0065 0.0477 0.0477
Entamoeba histolytica aminopeptidase, putative 0.0039 0.0116 0.5477
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0211 0.0211
Trypanosoma cruzi heat shock protein 85, putative 0.0046 0.0212 1
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0039 0.0116 0.012
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0065 0.0477 0.0477
Schistosoma mansoni nuclear receptor 0.0031 0.0003 0.0003
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0065 0.0477 0.0477
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0039 0.0116 0.0116
Toxoplasma gondii Hsp90 domain-containing protein 0.0174 0.1978 1
Entamoeba histolytica hypothetical protein 0.0036 0.0076 0.36
Brugia malayi Nuclear hormone receptor-like 1 0.0034 0.0054 0.0054
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0039 0.0116 0.0116
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0065 0.0477 0.0477
Loa Loa (eye worm) heat shock protein 90 0.0046 0.0212 0.0212
Trichomonas vaginalis heat shock protein, putative 0.0039 0.0121 0.4732
Loa Loa (eye worm) hypothetical protein 0.0039 0.0116 0.0116
Brugia malayi MH2 domain containing protein 0.0119 0.1228 0.1228
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0211 0.0218
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0065 0.0477 0.0477
Trypanosoma cruzi heat shock protein 90, putative 0.0039 0.0121 0.5696
Brugia malayi Nuclear hormone receptor-like 1 0.0034 0.0054 0.0054
Toxoplasma gondii heat shock protein 90, putative 0.0046 0.0212 0.1074
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0065 0.0477 0.0492
Plasmodium falciparum heat shock protein 90, putative 0.0174 0.1978 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.0477 0.0477
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0043 0.0174 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0268 0.0268
Schistosoma mansoni hypothetical protein 0.017 0.192 0.1983
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0043 0.0174 0.5
Echinococcus multilocularis microsomal glutathione S transferase 3 0.0135 0.1444 0.1444
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0039 0.0116 0.5477
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0039 0.0116 0.0116
Trypanosoma cruzi heat shock protein 90, putative 0.0046 0.0212 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0065 0.0477 0.0477
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0039 0.0121 0.0121
Loa Loa (eye worm) hypothetical protein 0.0034 0.0054 0.0054
Echinococcus granulosus aminopeptidase N 0.0039 0.0116 0.0116
Plasmodium vivax heat shock protein 86, putative 0.0046 0.0212 0.1074
Trypanosoma brucei heat shock protein, putative 0.0046 0.0212 1
Onchocerca volvulus 0.0038 0.0106 0.2213
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0065 0.0477 0.0477
Schistosoma mansoni aminopeptidase A (M01 family) 0.0039 0.0116 0.012
Brugia malayi nuclear receptor NHR-88 0.0031 0.0003 0.0003
Schistosoma mansoni heat shock protein 0.0046 0.0212 0.0219
Echinococcus multilocularis transfer RNA-Lys 0.0038 0.0106 0.0106
Leishmania major heat shock protein 83-1 0.0046 0.0212 1
Schistosoma mansoni hypothetical protein 0.0036 0.0076 0.0079
Trypanosoma cruzi heat shock protein 85, putative 0.0046 0.0212 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0039 0.0116 0.0116
Toxoplasma gondii aminopeptidase n, putative 0.0039 0.0116 0.0588
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0039 0.0116 0.5477
Echinococcus granulosus Nuclear hormone receptor HR96 0.0031 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0065 0.0477 0.0477
Loa Loa (eye worm) hypothetical protein 0.0031 0.0003 0.0003
Schistosoma mansoni zinc finger protein 0.0031 0.0003 0.0003
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0211 0.0211
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0065 0.0477 0.0477
Schistosoma mansoni single-minded 0.0051 0.029 0.03
Brugia malayi hypothetical protein 0.0031 0.0003 0.0003
Entamoeba histolytica hypothetical protein 0.0036 0.0076 0.36
Trypanosoma brucei heat shock protein, putative 0.0046 0.0212 1
Giardia lamblia Grp94/Hsp90 0.0043 0.0174 0.5748
Onchocerca volvulus 0.0065 0.0477 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0065 0.0477 0.0477
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0065 0.0477 0.0492
Loa Loa (eye worm) hypothetical protein 0.0039 0.0116 0.0116
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0039 0.0116 0.5477
Loa Loa (eye worm) hypothetical protein 0.0031 0.0003 0.0003
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0031 0.0003 0.0003
Echinococcus granulosus ecdysone induced protein 78C 0.0065 0.0477 0.0477
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0268 0.0268
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0732 0.9683 0.9683
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0031 0.0003 0.0003
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0043 0.0174 0.5
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0039 0.0116 0.012
Onchocerca volvulus 0.0039 0.0116 0.244
Leishmania major heat shock protein 83-1 0.0046 0.0212 1
Onchocerca volvulus 0.0039 0.0116 0.244
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0065 0.0477 0.0477

Activities

Activity type Activity value Assay description Source Reference
IC50 (ADMET) Inhibition of CYP1A2 ChEMBL. 19739647
IC50 (ADMET) Inhibition of CYP2C19 ChEMBL. 19739647
IC50 (ADMET) = 1.4 nM Inhibition of CYP3A4 ChEMBL. 19739647
IC50 (ADMET) = 4 nM Inhibition of CYP2D6 ChEMBL. 19739647
IC50 (binding) = 4.8 nM Displacement of [3H]3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear cell membrane ChEMBL. 19739647
IC50 (ADMET) = 9.1 nM Inhibition of CYP2C9 ChEMBL. 19739647
TDI (ADMET) = 0.033 /min Inhibition of CYP3A4 assessed as inhibition rate ChEMBL. 19739647

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.

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