Detailed information for compound 112324

Basic information

Technical information
  • TDR Targets ID: 112324
  • Name: (2R,3S)-3-(4-hydroxyphenyl)-4,4-dioxo-2-[4-(2 -piperidin-1-ylethoxy)phenyl]-2,3-dihydrobenz o[b][1,4]oxathiin-6-ol
  • MW: 495.587 | Formula: C27H29NO6S
  • H donors: 2 H acceptors: 4 LogP: 4.11 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)[C@H]1[C@H](Oc2c(S1(=O)=O)cc(cc2)O)c1ccc(cc1)OCCN1CCCCC1
  • InChi: 1S/C27H29NO6S/c29-21-8-4-20(5-9-21)27-26(34-24-13-10-22(30)18-25(24)35(27,31)32)19-6-11-23(12-7-19)33-17-16-28-14-2-1-3-15-28/h4-13,18,26-27,29-30H,1-3,14-17H2/t26-,27+/m1/s1
  • InChiKey: BYACGNJNGGJNNN-SXOMAYOGSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2R,3S)-3-(4-hydroxyphenyl)-4,4-dioxo-2-[4-[2-(1-piperidyl)ethoxy]phenyl]-2,3-dihydrobenzo[b][1,4]oxathiin-6-ol
  • (2R,3S)-3-(4-hydroxyphenyl)-4,4-diketo-2-[4-(2-piperidinoethoxy)phenyl]-2,3-dihydrobenzo[b][1,4]oxathiin-6-ol

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens estrogen receptor 1 Starlite/ChEMBL References
Homo sapiens estrogen receptor 2 (ER beta) Starlite/ChEMBL 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) hypothetical protein estrogen receptor 2 (ER beta) 495 aa 418 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable drugs-transport transmembrane ATP-binding protein ABC transporter 0.0099 0.2891 0.278
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0311 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.01 0.2904 0.2835
Giardia lamblia Kinase, PLK 0.0097 0.2814 0.2978
Entamoeba histolytica P-glycoprotein 5, putative 0.0311 1 1
Schistosoma mansoni tar DNA-binding protein 0.0053 0.1326 0.1241
Brugia malayi ecdysteroid receptor 0.0016 0.0097 0.0097
Trichomonas vaginalis abcb9, putative 0.0311 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.2814 0.2702
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0311 1 1
Entamoeba histolytica P-glycoprotein 6, putative 0.0099 0.2891 0.278
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0016 0.0097 0.0097
Leishmania major ATP-binding cassette protein subfamily C, member 8, putative 0.0099 0.2891 0.278
Echinococcus granulosus multidrug resistance protein 1 0.0218 0.6876 0.6846
Loa Loa (eye worm) hypothetical protein 0.0044 0.101 0.0922
Toxoplasma gondii ATP-binding cassette sub-family B member 5 0.0099 0.2891 0.278
Loa Loa (eye worm) hypothetical protein 0.0099 0.2891 0.2822
Plasmodium falciparum ABC transporter B family member 4, putative 0.0099 0.2891 0.278
Schistosoma mansoni multidrug resistance protein 0.0311 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0311 1 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0099 0.2891 0.3064
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0099 0.2891 0.278
Leishmania major p-glycoprotein 0.0311 1 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0097 0.2814 0.2744
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0016 0.0097 0.0097
Plasmodium vivax multidrug resistance-associated protein 1, putative 0.0099 0.2891 0.278
Trypanosoma brucei ABC transporter of the mitochondrion, putative 0.0099 0.2891 0.2989
Brugia malayi P-glycoprotein-like protein 0.0099 0.2891 0.2891
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0099 0.2891 0.278
Entamoeba histolytica ATP-binding cassette protein, putative 0.0099 0.2891 0.278
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1131 0.1045
Loa Loa (eye worm) hypothetical protein 0.0044 0.101 0.0922
Loa Loa (eye worm) TAR-binding protein 0.0053 0.1326 0.1241
Brugia malayi RNA binding protein 0.0053 0.1326 0.1326
Entamoeba histolytica P-glyco protein 6, putative 0.0311 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0053 0.1326 0.1326
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0311 1 1
Echinococcus granulosus multidrug resistance protein 1 0.0218 0.6876 0.6846
Brugia malayi nuclear receptor NHR-88 0.0016 0.0097 0.0097
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0099 0.2891 0.278
Trypanosoma cruzi ABC transporter, putative 0.0044 0.101 0.0935
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0093 0.2666 0.2551
Entamoeba histolytica P-glycoprotein 5, putative 0.0093 0.2666 0.2551
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1131 0.1045
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0097 0.2814 0.2702
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0099 0.2891 1
Leishmania major p-glycoprotein e 0.0099 0.2891 0.278
Loa Loa (eye worm) hypothetical protein 0.0099 0.2891 0.2822
Giardia lamblia ABC transporter, putative 0.0099 0.2891 0.3064
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.101 0.0935
Schistosoma mansoni multidrug resistance protein 0.0099 0.2891 0.2822
Brugia malayi steroid hormone receptor 0.0016 0.0097 0.0097
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0099 0.2891 0.2989
Toxoplasma gondii ATP-binding cassette G family transporter ABCG89 0.005 0.1235 0.1099
Toxoplasma gondii ATP-binding cassette G family transporter ABCG87 0.005 0.1235 0.1099
Trichomonas vaginalis ABC transporter, putative 0.0311 1 1
Echinococcus multilocularis multidrug resistance associated protein 1 0.0099 0.2891 0.2822
Trypanosoma brucei ABC transporter, mitochondrial, putative 0.0099 0.2891 0.2989
Trypanosoma cruzi hypothetical protein, conserved 0.005 0.1235 0.1181
Entamoeba histolytica ATP-binding cassette sub-family G1, putative 0.0044 0.101 0.087
Toxoplasma gondii ATP-binding cassette G family transporter ABCG84 0.029 0.9313 0.9302
Schistosoma mansoni multidrug resistance protein 0.0093 0.2666 0.2594
Plasmodium vivax ataxin-2 like protein, putative 0.0021 0.0252 0.01
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0099 0.2891 0.2989
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0218 0.6876 0.6827
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.1162 0.1024
Plasmodium vivax multidrug resistance protein 2, putative 0.0099 0.2891 0.278
Entamoeba histolytica P-glycoprotein-1 0.0311 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0311 1 1
Brugia malayi TAR-binding protein 0.0053 0.1326 0.1326
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1131 0.1045
Brugia malayi ABC transporter family protein 0.0099 0.2891 0.2891
Echinococcus granulosus ATP binding cassette sub family G 0.029 0.9313 0.9307
Toxoplasma gondii ATP-binding cassette G family transporter ABCG107 0.005 0.1235 0.1099
Echinococcus multilocularis ATP binding cassette sub family B 0.0304 0.9774 0.9772
Loa Loa (eye worm) multidrug resistance protein 3 0.0311 1 1
Mycobacterium ulcerans O-antigen/lipopolysaccharide transport integral membrane protein ABC transporter RfbD 0.0044 0.101 0.0935
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0099 0.2891 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1131 0.1045
Toxoplasma gondii ABC transporter family protein 0.0099 0.2891 0.278
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0016 0.0097 0.0097
Leishmania major ATP-binding cassette protein subfamily B, member 3, putative 0.0099 0.2891 0.278
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0311 1 1
Mycobacterium tuberculosis Probable O-antigen/lipopolysaccharide transport integral membrane protein ABC transporter RfbD 0.0044 0.101 0.087
Entamoeba histolytica ATP-binding cassette protein, putative 0.0099 0.2891 0.278
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0099 0.2891 0.2891
Trypanosoma cruzi ABC transporter, mitochondrial, putative 0.0099 0.2891 0.2989
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0016 0.0097 0.0097
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0311 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0311 1 1
Echinococcus granulosus multidrug resistance associated protein 1 0.0099 0.2891 0.2822
Loa Loa (eye worm) ABC transporter 0.0099 0.2891 0.2822
Trichomonas vaginalis ABC transporter, putative 0.0311 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.1131 0.1045
Giardia lamblia Multidrug resistance-associated protein Mrp2 0.0093 0.2666 0.2812
Entamoeba histolytica hypothetical protein 0.0099 0.2891 0.278
Plasmodium falciparum multidrug resistance protein 1 0.0311 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.2814 0.2702
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0311 1 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0099 0.2891 0.2989
Brugia malayi hypothetical protein 0.0156 0.4793 0.4793
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0099 0.2891 0.278
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.2814 0.2702
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0099 0.2891 0.278
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0099 0.2891 0.2822
Schistosoma mansoni tar DNA-binding protein 0.0053 0.1326 0.1241
Leishmania major ATP-binding cassette protein subfamily G, member 1, putative 0.005 0.1235 0.1099
Giardia lamblia MRP-like ABC transporter 0.0099 0.2891 0.3064
Schistosoma mansoni hypothetical protein 0.0028 0.0502 0.0409
Trypanosoma brucei ABC transporter, putative 0.005 0.1235 0.1181
Entamoeba histolytica ATP-binding cassette protein, putative 0.0099 0.2891 0.278
Leishmania major ATP-binding cassette protein subfamily B, member 1, putative 0.0099 0.2891 0.278
Entamoeba histolytica ABC transporter, putative 0.029 0.9313 0.9302
Entamoeba histolytica P-glycoprotein-2, putative 0.0311 1 1
Brugia malayi hypothetical protein 0.0099 0.2891 0.2891
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0093 0.2666 0.2551
Trypanosoma cruzi ATP-binding cassette protein subfamily G 0.005 0.1235 0.1181
Loa Loa (eye worm) hypothetical protein 0.0311 1 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0097 0.2814 0.2744
Loa Loa (eye worm) hypothetical protein 0.0044 0.101 0.0922
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0311 1 1
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0099 0.2891 0.2989
Echinococcus multilocularis ATP binding cassette sub family G 0.029 0.9313 0.9307
Plasmodium falciparum ataxin-2 like protein, putative 0.0021 0.0252 0.01
Schistosoma mansoni multidrug resistance protein 0.0099 0.2891 0.2822
Mycobacterium ulcerans drugs-transport transmembrane ATP-binding protein ABC transporter 0.0099 0.2891 0.2989
Echinococcus multilocularis multidrug resistance protein 1 0.0218 0.6876 0.6846
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0099 0.2891 0.278
Plasmodium vivax multidrug resistance-associated protein 2, putative 0.0099 0.2891 0.278
Entamoeba histolytica P-glycoprotein-2 0.0311 1 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0093 0.2666 0.2812
Trypanosoma brucei ATP-binding cassette protein subfamily G 0.005 0.1235 0.1181
Brugia malayi hypothetical protein 0.0044 0.101 0.101
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0099 0.2891 0.2989
Echinococcus multilocularis multidrug resistance associated protein 7 0.0099 0.2891 0.2822
Brugia malayi ABC transporter transmembrane region family protein 0.0093 0.2666 0.2666
Entamoeba histolytica P-glycoprotein-2, putative 0.0093 0.2666 0.2551
Mycobacterium ulcerans antibiotic resistance ABC transporter efflux protein 0.0044 0.101 0.0935
Brugia malayi ABC transporter family protein 0.0247 0.7845 0.7845
Trypanosoma cruzi PAB1-binding protein , putative 0.0021 0.0252 0.0107
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.029 0.9313 1
Mycobacterium tuberculosis Probable conserved transmembrane ATP-binding protein ABC transporter 0.024 0.7619 0.7582
Entamoeba histolytica multidrug resistance protein, putative 0.0099 0.2891 0.278
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0099 0.2891 0.278
Trypanosoma cruzi ATP-binding cassette protein, putative 0.029 0.9313 1
Plasmodium falciparum ABC transporter B family member 3, putative 0.0099 0.2891 0.278
Plasmodium falciparum multidrug resistance protein 2 0.0099 0.2891 0.278
Echinococcus granulosus ATP binding cassette sub family G 0.029 0.9313 0.9307
Mycobacterium ulcerans daunorubicin-DIM-transport integral membrane protein ABC transporter DrrB 0.0044 0.101 0.0935
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0311 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0053 0.1326 0.1241
Echinococcus granulosus ATP binding cassette sub family B 0.0093 0.2666 0.2594
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0042 0.0946 0.0946
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0311 1 0.5
Leishmania major hypothetical protein, conserved 0.0021 0.0252 0.01
Loa Loa (eye worm) hypothetical protein 0.0093 0.2666 0.2594
Schistosoma mansoni serine/threonine protein kinase 0.0097 0.2814 0.2744
Schistosoma mansoni multidrug resistance protein 0.0311 1 1
Schistosoma mansoni ATP-binding cassette sub-family g2 (white protein) (abcg2) 0.029 0.9313 0.9307
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0016 0.0097 0.0097
Trypanosoma cruzi PAB1-binding protein , putative 0.0021 0.0252 0.0107
Brugia malayi ABC transporter family protein 0.0311 1 1
Schistosoma mansoni smdr2 0.0311 1 1
Mycobacterium ulcerans antibiotic ABC transporter transmembrane protein 0.0044 0.101 0.0935
Schistosoma mansoni kinase 0.0049 0.1205 0.1119
Entamoeba histolytica ABC transporter, putative 0.0099 0.2891 0.278
Trypanosoma cruzi ABC transporter, putative 0.005 0.1235 0.1181
Loa Loa (eye worm) hypothetical protein 0.0042 0.0946 0.0858
Echinococcus multilocularis ATP binding cassette sub family B 0.0099 0.2891 0.2822
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0311 1 1
Schistosoma mansoni tar DNA-binding protein 0.0053 0.1326 0.1241
Loa Loa (eye worm) hypothetical protein 0.0311 1 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0099 0.2891 0.278
Loa Loa (eye worm) hypothetical protein 0.0156 0.4793 0.4742
Schistosoma mansoni tar DNA-binding protein 0.0053 0.1326 0.1241
Leishmania major ATP-binding cassette protein subfamily G, member 6, putative 0.029 0.9313 0.9302
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0099 0.2891 0.278
Loa Loa (eye worm) hypothetical protein 0.0028 0.0502 0.0409
Echinococcus multilocularis ATP binding cassette sub family B 0.0099 0.2891 0.2822
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0311 1 1
Loa Loa (eye worm) ABC transporter 0.0099 0.2891 0.2822
Echinococcus granulosus ATP binding cassette sub family B 0.0099 0.2891 0.2822
Echinococcus multilocularis ATP binding cassette sub family B 0.0099 0.2891 0.2822
Brugia malayi ABC transporter transmembrane region family protein 0.0099 0.2891 0.2891
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.1162 0.1024
Schistosoma mansoni ABC transporter 0.0044 0.101 0.0922
Trypanosoma cruzi hypothetical protein, conserved 0.005 0.1235 0.1181
Echinococcus multilocularis ATP binding cassette sub family G 0.029 0.9313 0.9307
Trypanosoma brucei ATP-binding cassette protein, putative 0.029 0.9313 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0016 0.0097 0.0097
Trichomonas vaginalis ABC transporter, putative 0.0311 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0016 0.0097 0.0097
Echinococcus granulosus ATP binding cassette sub family G 0.029 0.9313 0.9307
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.029 0.9313 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0311 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0093 0.2666 0.2551
Brugia malayi Calcitonin receptor-like protein seb-1 0.0042 0.0946 0.0946
Plasmodium falciparum ABC transporter G family member 2 0.029 0.9313 0.9302
Echinococcus multilocularis multidrug resistance protein 1 0.0311 1 1
Echinococcus granulosus multidrug resistance protein 1 0.0311 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0311 1 1
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0099 0.2891 1
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.029 0.9313 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0311 1 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0099 0.2891 0.278
Leishmania major pentamidine resistance protein 1 0.0099 0.2891 0.278
Echinococcus granulosus multidrug resistance protein 1 0.0311 1 1
Brugia malayi nuclear hormone receptor 0.0016 0.0097 0.0097
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0049 0.1178 0.1041
Schistosoma mansoni tar DNA-binding protein 0.0053 0.1326 0.1241
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.2814 0.2702
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0154 0.0058
Schistosoma mansoni multidrug resistance protein 0.0311 1 1
Mycobacterium ulcerans hypothetical protein 0.0044 0.101 0.0935
Brugia malayi hypothetical protein 0.0021 0.0252 0.0252
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0016 0.0097 0.0097
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0097 0.0097
Schistosoma mansoni ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6) 0.0093 0.2666 0.2594
Loa Loa (eye worm) hypothetical protein 0.0021 0.0252 0.0157
Mycobacterium tuberculosis Probable daunorubicin-dim-transport integral membrane protein ABC transporter DrrC 0.0044 0.101 0.087
Onchocerca volvulus 0.0156 0.4793 0.4742
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0099 0.2891 0.2989
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0099 0.2891 0.278
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0311 1 1
Trypanosoma cruzi ABC transporter, putative 0.0044 0.101 0.0935
Trypanosoma brucei polo-like protein kinase 0.0097 0.2814 0.2905
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0311 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0311 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0311 1 1
Schistosoma mansoni hypothetical protein 0.024 0.7619 0.7596
Leishmania major ATP-binding cassette protein subfamily G, member 5, putative 0.005 0.1235 0.1099
Trypanosoma brucei multidrug resistance protein E 0.0099 0.2891 0.2989
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1131 0.1045
Brugia malayi ABC transporter family protein 0.0099 0.2891 0.2891
Plasmodium vivax ABC transporter G family member 2, putative 0.029 0.9313 0.9302
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0097 0.2814 0.2744
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0016 0.0097 0.0097
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0311 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0154 0.0154
Entamoeba histolytica P-glycoprotein-5 0.0311 1 1
Schistosoma mansoni multidrug resistance protein 0.0099 0.2891 0.2822
Brugia malayi photoreceptor-specific nuclear receptor 0.0016 0.0097 0.0097
Echinococcus multilocularis tar DNA binding protein 0.0053 0.1326 0.1241
Trypanosoma cruzi ATP-binding cassette protein subfamily G 0.005 0.1235 0.1181
Schistosoma mansoni ap endonuclease 0.0018 0.0154 0.0058
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0311 1 1
Leishmania major ATP-binding cassette protein subfamily G, member 4, putative 0.029 0.9313 0.9302
Giardia lamblia Hypothetical protein 0.0093 0.2666 0.2812
Echinococcus granulosus multidrug resistance protein 1 0.0311 1 1
Trichomonas vaginalis abcb9, putative 0.0311 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.1131 0.1131
Plasmodium falciparum multidrug resistance-associated protein 1 0.0099 0.2891 0.278
Plasmodium falciparum ABC transporter B family member 6, putative 0.0099 0.2891 0.278
Echinococcus granulosus tar DNA binding protein 0.0053 0.1326 0.1241
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.2814 0.2905
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0099 0.2891 0.2989
Plasmodium vivax ABC transporter B family member 7, putative 0.0099 0.2891 0.278
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0311 1 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0154 0.0058
Plasmodium falciparum ABC transporter B family member 7, putative 0.0099 0.2891 0.278
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0099 0.2891 0.278
Trichomonas vaginalis taga, putative 0.0311 1 1
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0311 1 1
Brugia malayi multidrug resistance related protein 1 0.0099 0.2891 0.2891
Entamoeba histolytica P-glycoprotein-2 0.0311 1 1
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0099 0.2891 0.2822
Loa Loa (eye worm) hypothetical protein 0.0304 0.9774 0.9772
Echinococcus multilocularis ATP binding cassette sub family G 0.029 0.9313 0.9307
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0311 1 1
Echinococcus granulosus sodium channel protein 0.0049 0.1178 0.1092
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0016 0.0097 0.0097
Schistosoma mansoni multidrug resistance protein 0.0099 0.2891 0.2822
Brugia malayi latrophilin 2 splice variant baaae 0.0028 0.0502 0.0502
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0093 0.2666 0.2551
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.2814 0.2905
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.2814 0.2702
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0016 0.0097 0.0097
Plasmodium vivax multidrug resistance protein 1, putative 0.0311 1 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0097 0.2814 0.2814
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0154 0.5
Mycobacterium tuberculosis Iron-regulated transporter IrtA 0.0099 0.2891 0.278
Plasmodium vivax ABC transporter B family member 3, putative 0.0099 0.2891 0.278
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0311 1 1
Brugia malayi ABC transporter transmembrane region family protein 0.0099 0.2891 0.2891
Trypanosoma cruzi ABC transporter of the mitochondrion, putative 0.0099 0.2891 0.2989
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0042 0.0946 0.0858
Entamoeba histolytica serine/threonine protein kinase, putative 0.0097 0.2814 0.2702
Brugia malayi Steroid receptor seven-up type 2 0.0016 0.0097 0.0097
Echinococcus multilocularis multidrug resistance protein 1 0.0311 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0016 0.0097 0.0097
Brugia malayi ABC transporter family protein 0.0099 0.2891 0.2891
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.2814 0.2702
Loa Loa (eye worm) hypothetical protein 0.0093 0.2666 0.2594
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0311 1 1
Trypanosoma cruzi ABC transporter, putative 0.029 0.9313 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0099 0.2891 0.2822
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0049 0.1178 0.1092
Trypanosoma brucei ABC transporter, putative 0.029 0.9313 1
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0311 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0311 1 1
Trichomonas vaginalis ABC transporter, putative 0.0311 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.2814 0.2702
Echinococcus multilocularis sodium channel protein 0.0049 0.1178 0.1092
Schistosoma mansoni ap endonuclease 0.0018 0.0154 0.0058
Loa Loa (eye worm) ABC transporter 0.0099 0.2891 0.2822
Schistosoma mansoni multidrug resistance protein 0.0099 0.2891 0.2822
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0311 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0311 1 1
Brugia malayi ABC transporter 0.0099 0.2891 0.2891
Echinococcus granulosus ATP binding cassette sub family B 0.0099 0.2891 0.2822
Toxoplasma gondii ATP-binding cassette G family transporter ABCG96 0.005 0.1235 0.1099
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0311 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1131 0.1045
Leishmania major ABC-thiol transporter 0.0099 0.2891 0.278
Plasmodium vivax ABC transporter B family member 6, putative 0.0099 0.2891 0.278
Brugia malayi RE11181p 0.0044 0.101 0.101
Schistosoma mansoni ABC transporter 0.0247 0.7845 0.7824
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0016 0.0097 0.0097
Toxoplasma gondii LsmAD domain-containing protein 0.0021 0.0252 0.01
Onchocerca volvulus Serine\/threonine kinase homolog 0.0097 0.2814 0.2744
Echinococcus multilocularis 0.0099 0.2891 0.2822
Giardia lamblia ABC transporter 0.0283 0.9088 1
Schistosoma mansoni smdr1 0.0099 0.2891 0.2822
Entamoeba histolytica P-glycoprotein 6, putative 0.0099 0.2891 0.278
Loa Loa (eye worm) hypothetical protein 0.0099 0.2891 0.2822
Brugia malayi MH2 domain containing protein 0.01 0.2904 0.2904
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1131 0.1045
Trypanosoma brucei p-glycoprotein 0.0099 0.2891 0.2989
Plasmodium vivax ABC transporter B family member 4, putative 0.0099 0.2891 0.278
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0099 0.2891 1
Plasmodium falciparum ABC transporter B family member 5, putative 0.0099 0.2891 0.278
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0311 1 1
Echinococcus granulosus multidrug resistance associated protein 7 0.0099 0.2891 0.2822
Onchocerca volvulus 0.0311 1 1
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0304 0.9774 0.9772
Loa Loa (eye worm) ABC transporter 0.0247 0.7845 0.7824
Mycobacterium ulcerans daunorubicin-DIM-transport integral membrane protein ABC transporter DrrC 0.0044 0.101 0.0935
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0311 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0021 0.0252 0.01
Leishmania major ATP-binding cassette protein subfamily G, member 2, putative 0.005 0.1235 0.1099
Mycobacterium ulcerans antibiotic ABC transporter integral membrane protein 0.0044 0.101 0.0935
Plasmodium vivax ABC transporter B family member 5, putative 0.0099 0.2891 0.278
Trichomonas vaginalis abcb9, putative 0.0311 1 1
Toxoplasma gondii ABC transporter, putative 0.0099 0.2891 0.278
Loa Loa (eye worm) MH2 domain-containing protein 0.01 0.2904 0.2835
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0311 1 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0154 0.0058
Trypanosoma cruzi multidrug resistance protein E, putative 0.0099 0.2891 0.2989
Loa Loa (eye worm) RNA binding protein 0.0053 0.1326 0.1241
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0311 1 1
Mycobacterium tuberculosis Probable conserved integral membrane protein ABC transporter 0.0044 0.101 0.087
Giardia lamblia Multidrug resistance-associated protein 1 0.0099 0.2891 0.3064
Brugia malayi ABC transporter 0.0093 0.2666 0.2666
Mycobacterium ulcerans component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD 0.0099 0.2891 0.2989
Plasmodium falciparum multidrug resistance-associated protein 2 0.0099 0.2891 0.278
Trypanosoma brucei PAB1-binding protein , putative 0.0021 0.0252 0.0107

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1090 nM Binding affinity towards human recombinant Estrogen receptor alpha was determined ChEMBL. 15084115
IC50 (binding) = 1090 nM Binding affinity towards human recombinant Estrogen receptor alpha was determined ChEMBL. 15084115
IC50 (binding) = 5950 nM Binding affinity towards human recombinant Estrogen receptor beta was determined ChEMBL. 15084115
IC50 (binding) = 5950 nM Binding affinity towards human recombinant Estrogen receptor beta was determined ChEMBL. 15084115

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

1 literature reference was collected for this gene.

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