Detailed information for compound 371227

Basic information

Technical information
  • TDR Targets ID: 371227
  • Name: 6-bromo-9a-butyl-3,8,9,10-tetrahydroindeno[2, 1-e]indazol-7-one
  • MW: 359.26 | Formula: C18H19BrN2O
  • H donors: 1 H acceptors: 2 LogP: 4.6 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCC12CCC(=O)C(=C2c2c(C1)c1cn[nH]c1cc2)Br
  • InChi: 1S/C18H19BrN2O/c1-2-3-7-18-8-6-15(22)17(19)16(18)11-4-5-14-13(10-20-21-14)12(11)9-18/h4-5,10H,2-3,6-9H2,1H3,(H,20,21)
  • InChiKey: LTJAAYFJZWCNHE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-bromo-9a-butyl-3,8,9,10-tetrahydroindeno[2,3-e]indazol-7-one

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
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0027 0.0052 0.0052
Echinococcus granulosus glycine receptor subunit alpha 1 0.0038 0.0135 0.0135
Schistosoma mansoni chromobox protein 0.0073 0.0392 0.0392
Echinococcus granulosus glycine receptor subunit alpha 1 0.0038 0.0135 0.0135
Entamoeba histolytica hypothetical protein 0.0021 0.0004 0.0013
Echinococcus granulosus flap endonuclease 1 0.0027 0.0053 0.0053
Echinococcus multilocularis glycine receptor subunit beta 0.0038 0.0135 0.0135
Schistosoma mansoni coup transcription factor 0.0027 0.0052 0.0052
Mycobacterium tuberculosis Probable oxidoreductase 0.0126 0.0781 0.7132
Echinococcus granulosus expressed protein 0.0392 0.2746 0.2746
Trichomonas vaginalis ribokinase, putative 0.0156 0.1008 0.3137
Echinococcus multilocularis expressed protein 0.0392 0.2746 0.2746
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.004 0.0143 0.0143
Loa Loa (eye worm) hypothetical protein 0.0038 0.0135 0.0135
Echinococcus granulosus tyrosine kinase 0.0036 0.0115 0.0115
Leishmania major putative PfkB family sugar kinase 0.0156 0.1008 0.096
Echinococcus granulosus histone deacetylase 8 0.013 0.081 0.081
Echinococcus multilocularis histone deacetylase 3 0.0455 0.3212 0.3212
Echinococcus granulosus glycine receptor subunit alpha 1 0.0038 0.0135 0.0135
Mycobacterium tuberculosis Probable dehydrogenase 0.0113 0.0688 0.595
Brugia malayi Thioredoxin reductase 0.005 0.0218 0.0218
Loa Loa (eye worm) hypothetical protein 0.0027 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0027 0.0052 0.0052
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0027 0.0052 0.0052
Schistosoma mansoni tyrosine kinase 0.004 0.0143 0.0143
Schistosoma mansoni thyroid hormone receptor 0.0027 0.0052 0.0052
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.004 0.0143 0.0143
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0038 0.0135 0.0135
Schistosoma mansoni RAR-like nuclear receptor 0.0027 0.0052 0.0052
Trypanosoma brucei ribokinase, putative 0.0156 0.1008 0.096
Trypanosoma cruzi ribokinase, putative 0.0156 0.1008 0.096
Leishmania major histone deacetylase, putative 0.013 0.081 0.0761
Schistosoma mansoni thyroid hormone receptor 0.0027 0.0052 0.0052
Toxoplasma gondii kinase, pfkB family protein 0.1373 1 1
Brugia malayi nuclear receptor NHR-88 0.0027 0.0052 0.0052
Loa Loa (eye worm) histone deacetylase 3 0.0455 0.3212 0.3212
Echinococcus multilocularis tyrosine protein kinase Src64B 0.004 0.0143 0.0143
Onchocerca volvulus 0.0038 0.0135 0.0148
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0038 0.0135 0.0135
Echinococcus granulosus glycine receptor subunit beta 0.0038 0.0135 0.0135
Loa Loa (eye worm) hypothetical protein 0.0038 0.0135 0.0135
Brugia malayi glutathione reductase 0.005 0.0218 0.0218
Echinococcus granulosus lipoxygenase domain containing protein 0.0042 0.0159 0.0159
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0038 0.0135 0.0135
Trypanosoma cruzi histone deacetylase 1, putative 0.0455 0.3212 0.3176
Brugia malayi chromobox protein homolog 3 0.0041 0.0154 0.0154
Echinococcus granulosus tyrosine protein kinase Src64B 0.004 0.0143 0.0143
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0027 0.0052 0.0052
Entamoeba histolytica protein kinase, putative 0.0032 0.0086 0.0267
Schistosoma mansoni neurotransmitter gated ion channel 0.0021 0.0004 0.0004
Plasmodium falciparum histone deacetylase 1 0.0455 0.3212 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0027 0.0052 0.0052
Loa Loa (eye worm) TK protein kinase 0.0032 0.0086 0.0086
Brugia malayi hypothetical protein 0.0468 0.331 0.331
Loa Loa (eye worm) hypothetical protein 0.0021 0.0004 0.0004
Brugia malayi Histone deacetylase family protein 0.013 0.081 0.081
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.004 0.0143 0.0143
Loa Loa (eye worm) hypothetical protein 0.0038 0.0135 0.0135
Plasmodium falciparum LCCL domain-containing protein 0.0042 0.0159 0.0335
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0038 0.0135 0.0135
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0038 0.0135 0.0135
Echinococcus granulosus nAChR subunit 0.0021 0.0004 0.0004
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0027 0.0052 0.0054
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0126 0.0781 0.2919
Giardia lamblia Ribokinase 0.0156 0.1008 0.3022
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0038 0.0135 0.0135
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0038 0.0135 0.0135
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0036 0.0115 0.0115
Brugia malayi Histone deacetylase family protein 0.013 0.081 0.081
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0038 0.0135 0.0135
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0177 0.0552
Onchocerca volvulus 0.1217 0.8844 1
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0066 0.0205
Brugia malayi Histone deacetylase 1 0.0455 0.3212 0.3212
Loa Loa (eye worm) hypothetical protein 0.0041 0.0154 0.0154
Plasmodium falciparum thioredoxin reductase 0.005 0.0218 0.0522
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0455 0.3212 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0038 0.0135 0.0135
Loa Loa (eye worm) SRC-1 0.004 0.0143 0.0143
Echinococcus multilocularis histone deacetylase 6 0.013 0.081 0.081
Trichomonas vaginalis conserved hypothetical protein 0.0156 0.1008 0.3137
Brugia malayi SRC-1 0.004 0.0143 0.0143
Trypanosoma cruzi adenosine kinase, putative 0.0156 0.1008 0.096
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0027 0.0052 0.0052
Brugia malayi Cation transporter family protein 0.0038 0.0135 0.0135
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0183 0.1203 0.1203
Loa Loa (eye worm) hypothetical protein 0.0021 0.0004 0.0004
Leishmania major ribokinase, putative 0.0156 0.1008 0.096
Echinococcus multilocularis lipoxygenase domain containing protein 0.0042 0.0159 0.0159
Loa Loa (eye worm) glutathione reductase 0.005 0.0218 0.0218
Plasmodium vivax histone deacetylase, putative 0.013 0.081 0.2396
Echinococcus multilocularis histone deacetylase 8 0.013 0.081 0.081
Plasmodium vivax histone deacetylase 1, putative 0.0455 0.3212 1
Loa Loa (eye worm) thioredoxin reductase 0.005 0.0218 0.0218
Loa Loa (eye worm) LGC-31 protein 0.0038 0.0135 0.0135
Onchocerca volvulus 0.0038 0.0135 0.0148
Brugia malayi nuclear hormone receptor 0.0027 0.0052 0.0052
Schistosoma mansoni hypothetical protein 0.0042 0.0159 0.0159
Loa Loa (eye worm) heterochromatin protein 1 0.0073 0.0392 0.0392
Loa Loa (eye worm) ACC-1 protein 0.0038 0.0135 0.0135
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0021 0.0004 0.0004
Onchocerca volvulus 0.0042 0.0159 0.0175
Echinococcus multilocularis histone deacetylase 6 0.013 0.081 0.081
Mycobacterium tuberculosis Ribokinase RbsK 0.0156 0.1008 1
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0038 0.0135 0.0135
Trichomonas vaginalis histone deacetylase, putative 0.0455 0.3212 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0113 0.0688 0.595
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0038 0.0135 0.0135
Echinococcus multilocularis glycine receptor subunit beta 0.0038 0.0135 0.0135
Trypanosoma brucei adenosine kinase, putative 0.1373 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0027 0.0052 0.0052
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0066 0.0205
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0183 0.1203 0.1203
Trypanosoma cruzi histone deacetylase, putative 0.013 0.081 0.0761
Schistosoma mansoni chromobox protein 0.0073 0.0392 0.0392
Brugia malayi steroid hormone receptor 0.0027 0.0052 0.0052
Mycobacterium tuberculosis 6-phosphofructokinase PfkB (phosphohexokinase) (phosphofructokinase) 0.0156 0.1008 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0038 0.0135 0.0135
Echinococcus granulosus tyrosine protein kinase Fyn 0.004 0.0143 0.0143
Onchocerca volvulus 0.0468 0.331 0.374
Giardia lamblia Histone deacetylase 0.0455 0.3212 1
Leishmania major adenosine kinase, putative 0.1373 1 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0038 0.0135 0.0135
Echinococcus multilocularis histone deacetylase 1 0.0455 0.3212 0.3212
Echinococcus multilocularis tyrosine protein kinase Fgr 0.004 0.0143 0.0143
Loa Loa (eye worm) hypothetical protein 0.0038 0.0135 0.0135
Echinococcus granulosus tyrosine protein kinase Fyn 0.004 0.0143 0.0143
Schistosoma mansoni histone deacetylase 4 5 0.013 0.081 0.081
Echinococcus granulosus tyrosine protein kinase Blk 0.0036 0.0115 0.0115
Onchocerca volvulus 0.0038 0.0135 0.0148
Onchocerca volvulus Putative nachr subunit 0.0038 0.0135 0.0148
Echinococcus granulosus pseudouridine metabolizing bifunctional protein 0.0156 0.1008 0.1008
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0021 0.0004 0.0004
Echinococcus multilocularis histone deacetylase 7 0.013 0.081 0.081
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0027 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0038 0.0135 0.0135
Echinococcus multilocularis lipoxygenase domain containing protein 0.0042 0.0159 0.0159
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0126 0.0781 0.7132
Echinococcus granulosus glycine receptor subunit beta 0.0038 0.0135 0.0135
Loa Loa (eye worm) histone deacetylase 0.013 0.081 0.081
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0027 0.0052 0.0052
Entamoeba histolytica Hypothetical protein T24C12.3, putative 0.0156 0.1008 0.3137
Loa Loa (eye worm) TK protein kinase 0.0036 0.0115 0.0115
Brugia malayi photoreceptor-specific nuclear receptor 0.0027 0.0052 0.0052
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0027 0.0052 0.0052
Brugia malayi protein-tyrosine kinase 0.0036 0.0115 0.0115
Trypanosoma brucei ribokinase, putative 0.0156 0.1008 0.096
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0027 0.0052 0.0052
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0038 0.0135 0.0135
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0027 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0468 0.331 0.331
Schistosoma mansoni nAChR subunit 0.0038 0.0135 0.0135
Loa Loa (eye worm) hypothetical protein 0.0027 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0038 0.0135 0.0135
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0038 0.0135 0.0135
Loa Loa (eye worm) hypothetical protein 0.0027 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0027 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0156 0.1008 0.1008
Echinococcus multilocularis tyrosine protein kinase Srms 0.0036 0.0115 0.0115
Schistosoma mansoni nAChR subunit 0.0038 0.0135 0.0135
Schistosoma mansoni histone deacetylase hda2 0.013 0.081 0.081
Schistosoma mansoni polycystin 1-related 0.0042 0.0159 0.0159
Echinococcus granulosus histone deacetylase 6 0.013 0.081 0.081
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0038 0.0135 0.0135
Loa Loa (eye worm) hypothetical protein 0.0021 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0038 0.0135 0.0135
Trypanosoma cruzi histone deacetylase, putative 0.013 0.081 0.0761
Loa Loa (eye worm) hypothetical protein 0.0021 0.0004 0.0004
Leishmania major adenosine kinase-like protein 0.0156 0.1008 0.096
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0038 0.0135 0.0135
Onchocerca volvulus Putative pyridoxal kinase 0.0156 0.1008 0.1135
Loa Loa (eye worm) hypothetical protein 0.0038 0.0135 0.0135
Schistosoma mansoni ribokinase 0.0156 0.1008 0.1008
Trypanosoma brucei histone deacetylase 2 0.013 0.081 0.0761
Loa Loa (eye worm) hypothetical protein 0.0038 0.0135 0.0135
Echinococcus multilocularis ecdysone induced protein 78C 0.0027 0.0052 0.0052
Echinococcus granulosus chromobox protein 1 0.0073 0.0392 0.0392
Echinococcus multilocularis adenosine kinase 0.1373 1 1
Echinococcus multilocularis nAChR subunit 0.0038 0.0135 0.0135
Entamoeba histolytica tagatose-6-phosphate kinase, putative 0.0156 0.1008 0.3137
Onchocerca volvulus 0.0038 0.0135 0.0148
Loa Loa (eye worm) hypothetical protein 0.0021 0.0004 0.0004
Leishmania major tagatose-6-phosphate kinase-like protein 0.0156 0.1008 0.096
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0038 0.0135 0.0135
Mycobacterium tuberculosis Adenosine kinase 0.0156 0.1008 1
Onchocerca volvulus Bile acid receptor homolog 0.0027 0.0052 0.0054
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0027 0.0052 0.0052
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0027 0.0052 0.0052
Plasmodium vivax thioredoxin reductase, putative 0.005 0.0218 0.0522
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0027 0.0052 0.0052
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0038 0.0135 0.0135
Trypanosoma brucei adenosine kinase, putative 0.1373 1 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0159 0.0159
Echinococcus multilocularis Protein lozenge 0.0059 0.0285 0.0285
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0154 0.048
Loa Loa (eye worm) flap endonuclease-1 0.0027 0.0053 0.0053
Loa Loa (eye worm) hypothetical protein 0.0042 0.0159 0.0159
Loa Loa (eye worm) hypothetical protein 0.0027 0.0052 0.0052
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0027 0.0052 0.0052
Onchocerca volvulus 0.0156 0.1008 0.1135
Plasmodium vivax histone deacetylase, putative 0.013 0.081 0.2396
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0027 0.0052 0.0052
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0038 0.0135 0.0135
Entamoeba histolytica histone deacetylase, putative 0.0455 0.3212 1
Onchocerca volvulus 0.0038 0.0135 0.0148
Echinococcus granulosus tyrosine protein kinase Fyn 0.004 0.0143 0.0143
Echinococcus multilocularis thyroid hormone receptor alpha 0.0027 0.0052 0.0052
Brugia malayi hypothetical protein 0.0042 0.0159 0.0159
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0038 0.0135 0.0135
Trichomonas vaginalis histone deacetylase, putative 0.0455 0.3212 1
Toxoplasma gondii kinase, pfkB family protein 0.0156 0.1008 0.096
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0038 0.0135 0.0135
Plasmodium falciparum glutathione reductase 0.005 0.0218 0.0522
Loa Loa (eye worm) hypothetical protein 0.0038 0.0135 0.0135
Toxoplasma gondii thioredoxin reductase 0.005 0.0218 0.0166
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0038 0.0135 0.0135
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0036 0.0115 0.0115
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0113 0.0688 0.595
Loa Loa (eye worm) hypothetical protein 0.0156 0.1008 0.1008
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0038 0.0135 0.0135
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0027 0.0052 0.0052
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0038 0.0135 0.0135
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0027 0.0052 0.0052
Echinococcus granulosus histone deacetylase 0.013 0.081 0.081
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0154 0.017
Trichomonas vaginalis histone deacetylase, putative 0.0455 0.3212 1
Onchocerca volvulus Ribokinase homolog 0.0156 0.1008 0.1135
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0038 0.0135 0.0135
Brugia malayi Cation transporter family protein 0.0038 0.0135 0.0135
Schistosoma mansoni lozenge 0.0059 0.0285 0.0285
Entamoeba histolytica Flap nuclease, putative 0.0027 0.0053 0.0166
Trichomonas vaginalis histone deacetylase, putative 0.0455 0.3212 1
Mycobacterium leprae Probable adenosine kinase adk 0.0156 0.1008 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0038 0.0135 0.0135
Onchocerca volvulus Protein ultraspiracle homolog 0.0027 0.0052 0.0054
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0038 0.0135 0.0135
Schistosoma mansoni flap endonuclease-1 0.0025 0.0034 0.0034
Schistosoma mansoni nAChR subunit 0.0038 0.0135 0.0135
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.0218 0.0218
Trypanosoma brucei histone deacetylase 4 0.013 0.081 0.0761
Schistosoma mansoni histone deacetylase 0.0455 0.3212 0.3212
Schistosoma mansoni histone deacetylase 1 2 3 0.013 0.081 0.081
Trypanosoma brucei histone deacetylase 1 0.0455 0.3212 0.3176
Brugia malayi Nuclear hormone receptor-like 1 0.0027 0.0052 0.0052
Echinococcus multilocularis ribokinase 0.0156 0.1008 0.1008
Brugia malayi Ribokinase 0.0156 0.1008 0.1008
Schistosoma mansoni nAChR subunit 0.0038 0.0135 0.0135
Brugia malayi Doublecortin family protein 0.0042 0.0159 0.0159
Echinococcus multilocularis chromobox protein 1 0.0073 0.0392 0.0392
Loa Loa (eye worm) histone deacetylase 11 0.013 0.081 0.081
Onchocerca volvulus 0.0027 0.0052 0.0054
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0027 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0038 0.0135 0.0135
Toxoplasma gondii histone deacetylase HDAC3 0.0455 0.3212 0.3176
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0038 0.0135 0.0135
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0027 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0027 0.0052 0.0052
Trypanosoma cruzi histone deacetylase, putative 0.013 0.081 0.0761
Echinococcus multilocularis tyrosine protein kinase Fyn 0.004 0.0143 0.0143
Schistosoma mansoni nAChR subunit 0.0038 0.0135 0.0135
Brugia malayi histone deacetylase 3 (HD3) 0.0455 0.3212 0.3212
Onchocerca volvulus 0.0032 0.0089 0.0096
Echinococcus multilocularis pseudouridine metabolizing bifunctional protein 0.0156 0.1008 0.1008
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0035 0.0107 0.0107
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0027 0.0052 0.0052
Echinococcus multilocularis FTZ F1 alpha 0.0027 0.0052 0.0052
Schistosoma mansoni tyrosine kinase 0.004 0.0143 0.0143
Entamoeba histolytica ribokinase, putative 0.0156 0.1008 0.3137
Loa Loa (eye worm) hypothetical protein 0.0455 0.3212 0.3212
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0027 0.0052 0.0052
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0851 0.6141 0.6141
Toxoplasma gondii histone deacetylase HDAC1 0.013 0.081 0.0761
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0027 0.0052 0.0052
Echinococcus granulosus histone deacetylase 7 0.013 0.081 0.081
Loa Loa (eye worm) doublecortin family protein 0.0042 0.0159 0.0159
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0455 0.3212 1
Echinococcus multilocularis chromobox protein 1 0.0073 0.0392 0.0392
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0027 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0027 0.0052 0.0052
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0038 0.0135 0.0135
Loa Loa (eye worm) histone deacetylase 1 0.0455 0.3212 0.3212
Echinococcus granulosus FTZ F1 alpha 0.0027 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0468 0.331 0.331
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0027 0.0052 0.0052
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0038 0.0135 0.0135
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0038 0.0135 0.0135
Schistosoma mansoni histone deacetylase 4 5 0.013 0.081 0.081
Brugia malayi Cation transporter family protein 0.0038 0.0135 0.0135
Brugia malayi hypothetical protein 0.0156 0.1008 0.1008
Echinococcus multilocularis tyrosine protein kinase Src42A 0.004 0.0143 0.0143
Mycobacterium tuberculosis Probable reductase 0.0113 0.0688 0.595
Echinococcus granulosus ribokinase 0.0156 0.1008 0.1008
Echinococcus granulosus tyrosine protein kinase Src42A 0.0035 0.0107 0.0107
Schistosoma mansoni nuclear hormone receptor 0.0027 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0038 0.0135 0.0135
Trypanosoma cruzi adenosine kinase, putative 0.0156 0.1008 0.096
Brugia malayi histone deacetylase 11 0.013 0.081 0.081
Echinococcus multilocularis tyrosine protein kinase Blk 0.0036 0.0115 0.0115
Trypanosoma cruzi histone deacetylase, putative 0.013 0.081 0.0761
Plasmodium falciparum histone deacetylase, putative 0.013 0.081 0.2396
Leishmania major tagatose-6-phosphate kinase-like protein 0.0156 0.1008 0.096
Onchocerca volvulus Histone deacetylase 10 homolog 0.013 0.081 0.0912
Schistosoma mansoni adenosine kinase 0.1373 1 1
Entamoeba histolytica fructokinase, putative 0.0156 0.1008 0.3137
Echinococcus granulosus histone deacetylase 6 0.013 0.081 0.081
Schistosoma mansoni histone deacetylase 0.0455 0.3212 0.3212
Trypanosoma cruzi adenosine kinase, putative 0.1373 1 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0042 0.0159 0.0159
Echinococcus multilocularis nAChR subunit 0.0021 0.0004 0.0004
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0038 0.0135 0.0135
Loa Loa (eye worm) hypothetical protein 0.0038 0.0135 0.0135
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0027 0.0052 0.0052
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0021 0.0004 0.0004
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0027 0.0052 0.0052
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.004 0.0143 0.0143
Loa Loa (eye worm) hypothetical protein 0.013 0.081 0.081
Leishmania major adenosine kinase-like protein 0.0156 0.1008 0.096
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0038 0.0135 0.0135
Loa Loa (eye worm) GABA receptor subunit 0.0021 0.0004 0.0004
Trypanosoma cruzi histone deacetylase 1, putative 0.0455 0.3212 0.3176
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0038 0.0135 0.0135
Echinococcus multilocularis RUN 0.0042 0.0159 0.0159
Trypanosoma brucei histone deacetylase 3 0.013 0.081 0.0761
Echinococcus multilocularis tyrosine protein kinase Fyn 0.004 0.0143 0.0143
Trypanosoma brucei histone deacetylase, putative 0.013 0.081 0.0761
Schistosoma mansoni lipoxygenase 0.0108 0.0649 0.0649
Loa Loa (eye worm) hypothetical protein 0.0021 0.0004 0.0004
Trichomonas vaginalis chromobox protein, putative 0.0073 0.0392 0.1219
Trichomonas vaginalis histone deacetylase, putative 0.0455 0.3212 1
Trichomonas vaginalis ribokinase, putative 0.0156 0.1008 0.3137
Onchocerca volvulus 0.0042 0.0159 0.0175
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0027 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0032 0.0089 0.0089
Brugia malayi excitatory GABA receptor EXP-1A 0.0038 0.0135 0.0135
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0455 0.3212 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.004 0.0143 0.0143
Echinococcus multilocularis flap endonuclease 1 0.0027 0.0053 0.0053
Schistosoma mansoni histone deacetylase hda2 0.013 0.081 0.081
Echinococcus granulosus adenosine kinase 0.1373 1 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0021 0.0004 0.0004
Loa Loa (eye worm) steroid hormone receptor 0.0027 0.0052 0.0052
Loa Loa (eye worm) ACC-1 protein 0.0038 0.0135 0.0135
Onchocerca volvulus 0.0038 0.0135 0.0148
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0038 0.0135 0.0135
Schistosoma mansoni retinoic acid receptor RXR 0.0027 0.0052 0.0052
Schistosoma mansoni nAChR subunit 0.0038 0.0135 0.0135
Echinococcus granulosus tyrosine protein kinase Lyn 0.004 0.0143 0.0143
Trypanosoma brucei trypanothione reductase 0.005 0.0218 0.0166
Leishmania major histone deacetylase, putative 0.0455 0.3212 0.3176
Brugia malayi Heterochromatin protein 1 0.0073 0.0392 0.0392
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0027 0.0052 0.0052
Entamoeba histolytica kinase, PfkB family 0.0156 0.1008 0.3137
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0113 0.0688 0.595
Toxoplasma gondii histone deacetylase HDAC5 0.013 0.081 0.0761
Trypanosoma cruzi histone deacetylase, putative 0.013 0.081 0.0761
Trichomonas vaginalis chromobox protein, putative 0.0073 0.0392 0.1219
Echinococcus multilocularis tyrosine protein kinase Fyn 0.004 0.0143 0.0143
Loa Loa (eye worm) hypothetical protein 0.0038 0.0135 0.0135
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0027 0.0052 0.0052
Plasmodium vivax multidomain scavenger receptor, putative 0.0042 0.0159 0.0335
Plasmodium falciparum histone deacetylase 2 0.013 0.081 0.2396
Echinococcus granulosus histone deacetylase 3 0.0455 0.3212 0.3212
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0038 0.0135 0.0135
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0038 0.0135 0.0135
Plasmodium vivax glutathione reductase, putative 0.005 0.0218 0.0522
Trypanosoma cruzi adenosine kinase, putative 0.1373 1 1
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0038 0.0135 0.0135
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0177 0.0196
Loa Loa (eye worm) hypothetical protein 0.1373 1 1
Leishmania major histone deacetylase, putative 0.013 0.081 0.0761
Leishmania major histone deacetylase, putative 0.0455 0.3212 0.3176
Echinococcus granulosus nAChR subunit 0.0038 0.0135 0.0135
Echinococcus granulosus histone deacetylase 1 0.0455 0.3212 0.3212
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0021 0.0004 0.0004
Echinococcus granulosus histone deacetylase 6 0.013 0.081 0.081
Toxoplasma gondii histone deacetylase HDAC2 0.0455 0.3212 0.3176
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0027 0.0052 0.0052
Echinococcus granulosus chromobox protein 1 0.0073 0.0392 0.0392
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0038 0.0135 0.0135
Schistosoma mansoni adenosine kinase 0.1373 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0027 0.0052 0.0052
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0027 0.0052 0.0052
Echinococcus granulosus RUN 0.0042 0.0159 0.0159
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0027 0.0052 0.0052
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0027 0.0052 0.0052
Schistosoma mansoni lipoxygenase 0.0183 0.1203 0.1203
Brugia malayi hypothetical protein 0.0042 0.0159 0.0159
Mycobacterium ulcerans fructokinase, PfkB 0.0156 0.1008 0.5
Brugia malayi ecdysteroid receptor 0.0027 0.0052 0.0052
Plasmodium vivax histone deacetylase 2, putative 0.013 0.081 0.2396
Loa Loa (eye worm) hypothetical protein 0.0021 0.0004 0.0004
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0027 0.0052 0.0052
Loa Loa (eye worm) runx1 0.0059 0.0285 0.0285
Leishmania major trypanothione reductase 0.005 0.0218 0.0166
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0113 0.0688 0.595
Schistosoma mansoni rab6-interacting 0.0042 0.0159 0.0159
Echinococcus multilocularis histone deacetylase 0.013 0.081 0.081
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0038 0.0135 0.0135
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0027 0.0052 0.0052
Echinococcus granulosus tyrosine protein kinase Src42A 0.004 0.0143 0.0143
Schistosoma mansoni nAChR subunit 0.0038 0.0135 0.0135
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0027 0.0052 0.0052
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0126 0.0781 0.7132
Trichomonas vaginalis ribokinase, putative 0.0156 0.1008 0.3137
Echinococcus granulosus tyrosine protein kinase HCK 0.0032 0.0086 0.0086
Mycobacterium ulcerans carbohydrate kinase CbhK 0.0156 0.1008 0.5
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0177 0.0552
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0038 0.0135 0.0135
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0021 0.0004 0.0004
Brugia malayi histone deacetylase 1 (HD1) 0.0455 0.3212 0.3212
Toxoplasma gondii histone deacetylase HDAC4 0.013 0.081 0.0761
Loa Loa (eye worm) hypothetical protein 0.0038 0.0135 0.0135
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0038 0.0135 0.0135
Schistosoma mansoni loxhd1 0.0042 0.0159 0.0159
Loa Loa (eye worm) hypothetical protein 0.0038 0.0135 0.0135
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0027 0.0052 0.0052
Echinococcus multilocularis Polycystic kidney disease protein 0.0042 0.0159 0.0159
Echinococcus granulosus Polycystic kidney disease protein 0.0042 0.0159 0.0159
Schistosoma mansoni rab6-interacting 0.0042 0.0159 0.0159
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0154 0.048
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.0218 0.0218
Echinococcus granulosus ecdysone induced protein 78C 0.0027 0.0052 0.0052
Schistosoma mansoni steroid hormone receptor ad4bp 0.0027 0.0052 0.0052
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0038 0.0135 0.0135
Trichomonas vaginalis histone deacetylase, putative 0.0455 0.3212 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0135 0.0135
Trichomonas vaginalis flap endonuclease-1, putative 0.0027 0.0053 0.0166
Brugia malayi Flap endonuclease-1 0.0027 0.0053 0.0053
Loa Loa (eye worm) histone deacetylase 7A 0.013 0.081 0.081
Loa Loa (eye worm) hypothetical protein 0.0038 0.0135 0.0135
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0027 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0021 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0021 0.0004 0.0004
Echinococcus multilocularis histone deacetylase 6 0.013 0.081 0.081
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0038 0.0135 0.0135
Echinococcus multilocularis tyrosine protein kinase HCK 0.0032 0.0086 0.0086
Trypanosoma cruzi trypanothione reductase, putative 0.005 0.0218 0.0166
Loa Loa (eye worm) hypothetical protein 0.0038 0.0135 0.0135
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0038 0.0135 0.0135

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.9 nM Binding affinity to human ERbeta ChEMBL. 16730987
IC50 (binding) = 4.9 nM Binding affinity to human ERbeta ChEMBL. 16730987
IC50 (binding) = 1410 nM Binding affinity to human ERalpha ChEMBL. 16730987
IC50 (binding) = 1410 nM Binding affinity to human ERalpha ChEMBL. 16730987
Selectivity ratio (binding) = 288 Selectivity for human ERbeta over ERalpha ChEMBL. 16730987
Selectivity ratio (binding) = 288 Selectivity for human ERbeta over ERalpha ChEMBL. 16730987

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.