Detailed information for compound 168111

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 517.495 | Formula: C28H37BrO4
  • H donors: 2 H acceptors: 3 LogP: 6.7 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: BrCC(=O)OCCCCCCC#C[C@@]1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)O
  • InChi: 1S/C28H37BrO4/c1-27-15-12-23-22-11-9-21(30)18-20(22)8-10-24(23)25(27)13-16-28(27,32)14-6-4-2-3-5-7-17-33-26(31)19-29/h9,11,18,23-25,30,32H,2-5,7-8,10,12-13,15-17,19H2,1H3/t23?,24?,25?,27?,28-/m0/s1
  • InChiKey: BGCJWPRTWVZIPU-DWQQMIMISA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

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

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.007 0.0454 0.7625
Toxoplasma gondii Erv1 / Alr family protein 0.003 0.0164 0.1869
Loa Loa (eye worm) hypothetical protein 0.0025 0.0127 0.0075
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0035 0.0197 0.0145
Toxoplasma gondii Erv1 / Alr family protein 0.003 0.0164 0.1869
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0032 0.0175 0.0139
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0234 0.1643 0.1613
Schistosoma mansoni inositol monophosphatase 0.007 0.0454 0.0454
Mycobacterium ulcerans carboxylesterase, LipT 0.0234 0.1643 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0234 0.1643 0.1613
Echinococcus granulosus dnaJ subfamily B 0.0675 0.4838 0.4819
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0085 0.0562 0.0512
Brugia malayi Calcitonin receptor-like protein seb-1 0.0085 0.0562 0.0512
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.003 0.0164 0.1962
Brugia malayi Hemopexin family protein 0.0035 0.02 0.0148
Loa Loa (eye worm) hypothetical protein 0.1387 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0204 0.1419 0.1374
Treponema pallidum exodeoxyribonuclease (exoA) 0.0017 0.0064 0.5
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.007 0.0454 0.7264
Echinococcus multilocularis Polycystic kidney disease protein 0.0015 0.0053 0.0017
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.003 0.0164 0.0128
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0035 0.0197 0.0197
Echinococcus multilocularis lamin dm0 0.0055 0.0339 0.0304
Echinococcus multilocularis dnaJ subfamily B 0.0675 0.4838 0.4819
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0035 0.0197 0.0162
Echinococcus granulosus para nitrobenzyl esterase 0.0234 0.1643 0.1613
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.007 0.0454 0.2475
Schistosoma mansoni hypothetical protein 0.0032 0.0175 0.0175
Schistosoma mansoni ap endonuclease 0.0017 0.0064 0.0064
Echinococcus granulosus lamin 0.0055 0.0339 0.0304
Loa Loa (eye worm) acetylcholinesterase 1 0.1387 1 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.005 0.0309 0.4796
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0025 0.0127 0.0091
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.007 0.0454 0.7625
Loa Loa (eye worm) hypothetical protein 0.0234 0.1643 0.1598
Brugia malayi latrophilin 2 splice variant baaae 0.0058 0.0367 0.0315
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0042 0.025 0.0214
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.005 0.0309 0.4796
Mycobacterium ulcerans hydrolase 0.003 0.0164 0.0634
Toxoplasma gondii histone lysine methyltransferase SET1 0.0091 0.0602 1
Brugia malayi intermediate filament protein 0.0055 0.0339 0.0288
Onchocerca volvulus 0.0047 0.0287 0.1474
Loa Loa (eye worm) inositol-1 0.007 0.0454 0.0404
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0027 0.0141 0.0141
Schistosoma mansoni hypothetical protein 0.0015 0.0053 0.0053
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.007 0.0454 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0332 0.028
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0027 0.0141 0.0106
Plasmodium vivax SET domain protein, putative 0.0027 0.0141 0.7959
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0087 0.0576 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.005 0.0309 0.629
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.003 0.0164 0.1962
Onchocerca volvulus 0.0234 0.1643 1
Echinococcus multilocularis transcription factor Dp 1 0.0029 0.0155 0.012
Loa Loa (eye worm) hypothetical protein 0.0234 0.1643 0.1598
Loa Loa (eye worm) hypothetical protein 0.0025 0.0124 0.0072
Schistosoma mansoni hypothetical protein 0.0035 0.02 0.02
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0091 0.06 0.0566
Brugia malayi Inositol-1 0.007 0.0454 0.0404
Brugia malayi Carboxylesterase family protein 0.0234 0.1643 0.1598
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.007 0.0454 0.7625
Mycobacterium tuberculosis Carboxylesterase LipT 0.0234 0.1643 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0035 0.0197 0.0197
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.003 0.0164 0.0634
Loa Loa (eye worm) CXXC zinc finger family protein 0.0047 0.0287 0.0236
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0035 0.0197 0.0145
Echinococcus granulosus lipoxygenase domain containing protein 0.0015 0.0053 0.0017
Onchocerca volvulus Matrix metalloproteinase homolog 0.0055 0.0344 0.1832
Brugia malayi Pre-SET motif family protein 0.0027 0.0141 0.0089
Trichomonas vaginalis myo inositol monophosphatase, putative 0.007 0.0454 0.267
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0087 0.0576 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0124 0.0072
Echinococcus granulosus fatty acid binding protein FABP2 0.0064 0.0406 0.0372
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0027 0.014 0.0104
Echinococcus multilocularis inositol monophosphatase 1 0.007 0.0454 0.042
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0087 0.0576 0.0526
Onchocerca volvulus 0.0234 0.1643 1
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.003 0.0164 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0087 0.0576 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0135 0.0082
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0087 0.0576 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.014 0.0087
Echinococcus multilocularis fatty acid binding protein FABP2 0.0129 0.0881 0.0848
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.005 0.0309 0.0309
Brugia malayi Matrixin family protein 0.006 0.038 0.0329
Schistosoma mansoni lamin 0.0055 0.0339 0.0339
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0027 0.014 0.0104
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.003 0.0164 0.0128
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0013 0.0036 0.0036
Loa Loa (eye worm) matrixin family protein 0.006 0.038 0.0329
Onchocerca volvulus 0.0055 0.0339 0.1799
Loa Loa (eye worm) hypothetical protein 0.0055 0.0339 0.0288
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.005 0.0309 0.4796
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0032 0.0175 0.0139
Schistosoma mansoni fatty acid binding protein 0.0129 0.0881 0.0881
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0027 0.014 0.0104
Echinococcus granulosus histone lysine methyltransferase setb 0.0027 0.0141 0.0106
Echinococcus multilocularis lipoxygenase domain containing protein 0.0015 0.0053 0.0017
Brugia malayi hypothetical protein 0.0234 0.1643 0.1598
Onchocerca volvulus 0.0234 0.1643 1
Echinococcus multilocularis fatty acid binding protein FABP2 0.0129 0.0881 0.0848
Trichomonas vaginalis ap endonuclease, putative 0.0017 0.0064 0.0259
Echinococcus granulosus carboxylesterase 5A 0.1387 1 1
Schistosoma mansoni cpg binding protein 0.005 0.0307 0.0307
Schistosoma mansoni lipoxygenase 0.0015 0.0053 0.0053
Loa Loa (eye worm) latrophilin receptor protein 2 0.0027 0.014 0.0087
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0234 0.1643 0.1643
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0234 0.1643 0.1643
Schistosoma mansoni rab6-interacting 0.0015 0.0053 0.0053
Echinococcus granulosus lamin dm0 0.0055 0.0339 0.0304
Echinococcus granulosus neuroligin 0.0234 0.1643 0.1613
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.003 0.0164 0.1962
Schistosoma mansoni intermediate filament proteins 0.0055 0.0339 0.0339
Echinococcus multilocularis acetylcholinesterase 0.1387 1 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0026 0.0135 0.0099
Schistosoma mansoni gliotactin 0.0234 0.1643 0.1643
Schistosoma mansoni cpg binding protein 0.0047 0.0287 0.0287
Brugia malayi CXXC zinc finger family protein 0.0047 0.0287 0.0236
Loa Loa (eye worm) hypothetical protein 0.0234 0.1643 0.1598
Schistosoma mansoni hypothetical protein 0.0027 0.014 0.014
Schistosoma mansoni acetylcholinesterase 0.0234 0.1643 0.1643
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.003 0.0164 0.1962
Echinococcus multilocularis lipoxygenase domain containing protein 0.0015 0.0053 0.0017
Echinococcus multilocularis mitogen activated protein kinase 0.0087 0.0576 0.0542
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0027 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.003 0.0164 0.0111
Schistosoma mansoni transcription factor LCR-F1 0.0032 0.0175 0.0175
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0027 0.0141 0.0141
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0035 0.0197 0.0162
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.005 0.0309 0.4796
Echinococcus multilocularis fatty acid binding protein FABP2 0.0064 0.0406 0.0372
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0063 0.0401 1
Echinococcus multilocularis RUN 0.0015 0.0053 0.0017
Echinococcus multilocularis GPCR, family 2 0.0027 0.014 0.0104
Echinococcus granulosus lipoxygenase domain containing protein 0.0015 0.0053 0.0017
Entamoeba histolytica hypothetical protein 0.0032 0.0175 0.2848
Brugia malayi Pre-SET motif family protein 0.0184 0.1277 0.1231
Trichomonas vaginalis inositol monophosphatase, putative 0.007 0.0454 0.267
Trichomonas vaginalis set domain proteins, putative 0.0209 0.146 0.8875
Giardia lamblia Kinase, CMGC MAPK 0.0087 0.0576 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0035 0.0197 0.0162
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0087 0.0576 0.9526
Schistosoma mansoni ap endonuclease 0.0017 0.0064 0.0064
Brugia malayi Intermediate filament tail domain containing protein 0.0055 0.0339 0.0288
Brugia malayi cytoplasmic intermediate filament protein 0.0029 0.0155 0.0103
Entamoeba histolytica hypothetical protein 0.0032 0.0175 0.2848
Brugia malayi Matrixin family protein 0.0025 0.0124 0.0072
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0017 0.0064 0.0011
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0087 0.0576 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.005 0.0309 0.0274
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0029 0.0155 0.0103
Echinococcus multilocularis musashi 0.0055 0.0339 0.0304
Echinococcus granulosus mitogen activated protein kinase 0.0087 0.0576 0.0542
Schistosoma mansoni serine/threonine protein kinase 0.0087 0.0576 0.0576
Trichomonas vaginalis CMGC family protein kinase 0.0087 0.0576 0.3421
Loa Loa (eye worm) matrix metalloproteinase 0.0025 0.0124 0.0072
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0087 0.0576 1
Onchocerca volvulus 0.0027 0.0141 0.0556
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0085 0.0562 0.0512
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.003 0.0164 0.0111
Echinococcus granulosus inositol monophosphatase 1 0.007 0.0454 0.042
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0063 0.0401 0.2136
Echinococcus multilocularis cpg binding protein 0.005 0.0307 0.0272
Onchocerca volvulus 0.0055 0.0339 0.1799
Loa Loa (eye worm) hypothetical protein 0.0234 0.1643 0.1598
Brugia malayi MAP kinase sur-1 0.0087 0.0576 0.0526
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0027 0.0141 0.0106
Schistosoma mansoni BC026374 protein (S09 family) 0.0234 0.1643 0.1643
Trichomonas vaginalis CMGC family protein kinase 0.0087 0.0576 0.3421
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0016 0.0057 0.0021
Echinococcus granulosus BC026374 protein S09 family 0.0234 0.1643 0.1613
Echinococcus granulosus mitogen activated protein kinase 3 0.0087 0.0576 0.0542
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.007 0.0454 0.7625
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.005 0.0309 0.0258
Echinococcus multilocularis mitogen activated protein kinase 3 0.0087 0.0576 0.0542
Leishmania major hypothetical protein, conserved 0.003 0.0164 0.1962
Brugia malayi Lipocalin / cytosolic fatty-acid binding protein family protein 0.0527 0.3761 0.3728
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1387 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0027 0.014 0.0104
Loa Loa (eye worm) hypothetical protein 0.0027 0.0141 0.0089
Schistosoma mansoni hypothetical protein 0.0027 0.014 0.014
Brugia malayi Carboxylesterase family protein 0.0234 0.1643 0.1598
Entamoeba histolytica hypothetical protein 0.0032 0.0175 0.2848
Onchocerca volvulus 0.0025 0.0124 0.0449
Brugia malayi Carboxylesterase family protein 0.0234 0.1643 0.1598
Schistosoma mansoni inositol monophosphatase 0.007 0.0454 0.0454
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0055 0.0339 0.0288
Loa Loa (eye worm) histone methyltransferase 0.0016 0.0057 0.0004
Loa Loa (eye worm) carboxylesterase 0.0234 0.1643 0.1598
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0091 0.06 0.0566
Brugia malayi Matrixin family protein 0.0025 0.0124 0.0072
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.005 0.0309 0.0274
Brugia malayi F/Y-rich N-terminus family protein 0.0015 0.0056 0.0003
Onchocerca volvulus Matrilysin homolog 0.0055 0.0344 0.1832
Schistosoma mansoni hypothetical protein 0.0675 0.4838 0.4838
Loa Loa (eye worm) hepatopoietin HPO2 0.003 0.0164 0.0112
Trichomonas vaginalis CMGC family protein kinase 0.0087 0.0576 0.3421
Onchocerca volvulus 0.0234 0.1643 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0101 0.068 0.068
Schistosoma mansoni lamin 0.0055 0.0339 0.0339
Trichomonas vaginalis ap endonuclease, putative 0.0017 0.0064 0.0259
Loa Loa (eye worm) intermediate filament protein 0.0055 0.0339 0.0288
Brugia malayi hypothetical protein 0.0032 0.0175 0.0123
Echinococcus granulosus GPCR family 2 0.0027 0.014 0.0104
Trichomonas vaginalis spcc417.12 protein, putative 0.0234 0.1643 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0035 0.0197 0.0162
Loa Loa (eye worm) hypothetical protein 0.0085 0.0562 0.0512
Entamoeba histolytica hypothetical protein 0.0032 0.0175 0.2848
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0027 0.014 0.0087
Loa Loa (eye worm) hypothetical protein 0.0025 0.0127 0.0075
Trichomonas vaginalis myo inositol monophosphatase, putative 0.007 0.0454 0.267
Echinococcus multilocularis para nitrobenzyl esterase 0.0234 0.1643 0.1613
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0017 0.0064 0.0953
Echinococcus multilocularis acetylcholinesterase 0.1387 1 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0026 0.0135 0.0099
Onchocerca volvulus Matrilysin homolog 0.0025 0.0124 0.0449
Echinococcus multilocularis lamin 0.0055 0.0339 0.0304
Loa Loa (eye worm) hypothetical protein 0.0058 0.0367 0.0315
Echinococcus granulosus fatty acid binding protein FABP2 0.0129 0.0881 0.0848
Brugia malayi follicle stimulating hormone receptor 0.0204 0.1419 0.1374
Loa Loa (eye worm) hypothetical protein 0.0234 0.1643 0.1598
Echinococcus granulosus fatty acid binding protein FABP2 0.0129 0.0881 0.0848
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.005 0.0309 0.0258
Loa Loa (eye worm) hypothetical protein 0.0234 0.1643 0.1598
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0027 0.0141 0.1447
Onchocerca volvulus 0.0035 0.02 0.0924
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0234 0.1643 1
Schistosoma mansoni polycystin 1-related 0.0015 0.0053 0.0053
Echinococcus granulosus Polycystic kidney disease protein 0.0015 0.0053 0.0017
Onchocerca volvulus 0.0209 0.146 0.8853
Schistosoma mansoni fatty acid binding protein 0.0129 0.0881 0.0881
Loa Loa (eye worm) hypothetical protein 0.0234 0.1643 0.1598
Loa Loa (eye worm) matrixin family protein 0.0055 0.0344 0.0293
Loa Loa (eye worm) carboxylesterase 0.0234 0.1643 0.1598
Echinococcus multilocularis neuroligin 0.0234 0.1643 0.1613
Schistosoma mansoni hypothetical protein 0.0027 0.014 0.014
Echinococcus granulosus cpg binding protein 0.005 0.0307 0.0272
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0087 0.0576 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0017 0.0064 0.0028
Trypanosoma brucei protein kinase, putative 0.0087 0.0576 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0017 0.0064 0.0953
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0234 0.1643 0.1643
Brugia malayi Matrixin family protein 0.0025 0.0124 0.0072
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0042 0.025 0.0214
Loa Loa (eye worm) hypothetical protein 0.0025 0.0124 0.0072
Brugia malayi Latrophilin receptor protein 2 0.0027 0.014 0.0087
Brugia malayi exodeoxyribonuclease III family protein 0.0017 0.0064 0.0011
Brugia malayi Augmenter of liver regeneration 0.003 0.0164 0.0112
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.003 0.0164 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0016 0.0057 0.0021
Schistosoma mansoni rab6-interacting 0.0015 0.0053 0.0053
Schistosoma mansoni hypothetical protein 0.0058 0.0367 0.0367
Echinococcus granulosus fatty acid binding protein, adipocyte 0.0064 0.0406 0.0372
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0035 0.0197 0.0197
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0027 0.0141 0.0141
Brugia malayi Carboxylesterase family protein 0.1387 1 1
Echinococcus multilocularis carboxylesterase 5A 0.1387 1 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0017 0.0064 0.0028
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0184 0.1277 0.1231
Loa Loa (eye worm) hypothetical protein 0.1387 1 1
Schistosoma mansoni loxhd1 0.0015 0.0053 0.0053
Echinococcus granulosus transcription factor Dp 1 0.0029 0.0155 0.012
Echinococcus granulosus RUN 0.0015 0.0053 0.0017
Echinococcus granulosus intermediate filament protein 0.0055 0.0339 0.0304
Loa Loa (eye worm) carboxylesterase 0.1387 1 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.007 0.0454 1
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0025 0.0124 0.0124
Brugia malayi Matrixin family protein 0.0025 0.0124 0.0072
Schistosoma mansoni lipoxygenase 0.0042 0.025 0.025
Loa Loa (eye worm) lipocalin/cytosolic fatty-acid binding protein family protein 0.0527 0.3761 0.3728
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0234 0.1643 1
Onchocerca volvulus 0.0234 0.1643 1
Echinococcus granulosus acetylcholinesterase 0.1387 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0087 0.0576 0.3421
Schistosoma mansoni hypothetical protein 0.0027 0.014 0.014
Schistosoma mansoni cpg binding protein 0.005 0.0307 0.0307
Schistosoma mansoni neuroligin 3 (S09 family) 0.0234 0.1643 0.1643
Brugia malayi Carboxylesterase family protein 0.0234 0.1643 0.1598
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0234 0.1643 0.1613
Echinococcus granulosus acetylcholinesterase 0.1387 1 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0234 0.1643 1

Activities

Activity type Activity value Assay description Source Reference
RAC app (binding) = 0.24 Relative affinity constant for [3H]-estradiol binding to cytosol (2 mg protein/mL,pH 7.0) after 20 hr at 20 degree C ChEMBL. 8411015
RAC app (binding) = 1.5 Relative affinity constant for [3H]-estradiol binding to cytosol (2 mg protein/mL, pH 7.0) after 28 hr at 0C ChEMBL. 8411015
RAC app (binding) = 2.4 Relative affinity constant for [3H]-estradiol binding to cytosol (2 mg protein/mL,pH 7.0) after 4 hr at 0C ChEMBL. 8411015
Ratio (binding) = 10 RAC ratio for estrogen receptor binding after 4 and 20 hr ChEMBL. 8411015

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.