Detailed information for compound 1073566

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 418.954 | Formula: C24H31ClO4
  • H donors: 0 H acceptors: 1 LogP: 6.56 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@H](C[C@H]1O[C@@H](c2ccc(cc2)Cl)C2=C(C1)OC(OC2=O)(C)C)CCC=C(C)C
  • InChi: 1S/C24H31ClO4/c1-15(2)7-6-8-16(3)13-19-14-20-21(23(26)29-24(4,5)28-20)22(27-19)17-9-11-18(25)12-10-17/h7,9-12,16,19,22H,6,8,13-14H2,1-5H3/t16-,19+,22-/m0/s1
  • InChiKey: BVMQMOAFGZVHJN-NBCNXNJRSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.01 0.0289 0.1109
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0013 0.0047
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0194 0.0615 0.0607
Entamoeba histolytica acetyltransferase, GNAT family 0.0044 0.0096 0.0958
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0751 0.2536 0.253
Echinococcus granulosus neutral amino acid transporter A 0.0751 0.2536 0.253
Giardia lamblia Fructose-bisphosphate aldolase 0.0283 0.0922 1
Echinococcus granulosus neuropeptide s receptor 0.052 0.1739 0.1732
Toxoplasma gondii aldehyde dehydrogenase 0.0198 0.0627 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0023 0.007
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0064 0.0056
Schistosoma mansoni rab6-interacting 0.0021 0.0016 0.0008
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0036 0.0069 0.0223
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0048 0.011 0.2258
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0751 0.2536 0.253
Loa Loa (eye worm) hypothetical protein 0.0019 0.0009 0.0021
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.0345 0.1037
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.0132 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0017 0.0035
Echinococcus granulosus neuropeptide receptor A26 0.052 0.1739 0.1732
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0017 0.0035
Onchocerca volvulus Protein ultraspiracle homolog 0.0021 0.0017 0.0003
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0019 0.0008 0.002
Echinococcus granulosus survival motor neuron protein 1 0.0489 0.1633 0.1627
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0013 0.0038
Brugia malayi Smad1 0.0035 0.0065 0.0224
Loa Loa (eye worm) hypothetical protein 0.0019 0.0008 0.002
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0023 0.0321
Loa Loa (eye worm) hypothetical protein 0.0019 0.0008 0.002
Loa Loa (eye worm) hypothetical protein 0.0021 0.0017 0.0055
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0017 0.0035
Echinococcus multilocularis Polycystic kidney disease protein 0.0021 0.0016 0.0008
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0023 0.0237
Mycobacterium ulcerans bacterioferritin BfrA 0.0036 0.0069 0.106
Schistosoma mansoni ferritin light chain 0.0036 0.0069 0.0061
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0751 0.2536 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0013 0.0005
Loa Loa (eye worm) doublecortin family protein 0.0021 0.0016 0.0052
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0275 0.0892 0.3495
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0017 0.0035
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0023 0.0237
Plasmodium vivax hypothetical protein, conserved 0.0154 0.0474 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0013 0.0753
Entamoeba histolytica hypothetical protein 0.0194 0.0615 0.6642
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0064 0.0165 0.062
Trichomonas vaginalis D-aminoacylase, putative 0.0154 0.0474 0.5097
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0023 0.0165
Echinococcus granulosus neutral amino acid transporter 0.0751 0.2536 0.253
Loa Loa (eye worm) hypothetical protein 0.0021 0.0016 0.0052
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0154 0.0474 0.1858
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0277 0.0269
Trypanosoma cruzi hypothetical protein, conserved 0.0154 0.0474 1
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0036 0.0069 0.0208
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0017 0.0009
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0023 0.006
Schistosoma mansoni smad1 5 8 and 0.0035 0.0065 0.0057
Echinococcus multilocularis beta LACTamase domain containing family member 0.0154 0.0474 0.0466
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0277 0.0269
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0138 0.0422 0.8842
Echinococcus granulosus TGF beta signal transducer SmadC 0.0035 0.0065 0.0057
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0017 0.0009
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0013 0.0156
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0981 0.333 1
Schistosoma mansoni hypothetical protein 0.0188 0.0592 0.0584
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0017 0.0009
Brugia malayi nuclear receptor NHR-88 0.0021 0.0017 0.0035
Brugia malayi hypothetical protein 0.0194 0.0615 0.2401
Mycobacterium ulcerans aldehyde dehydrogenase 0.0198 0.0627 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0198 0.0627 0.0619
Brugia malayi MH2 domain containing protein 0.0035 0.0065 0.0224
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0036 0.0069 0.1023
Plasmodium vivax multidomain scavenger receptor, putative 0.0021 0.0016 0.0277
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0751 0.2536 1
Brugia malayi MH1 domain containing protein 0.0019 0.0011 0.0011
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0013 0.007
Mycobacterium tuberculosis Conserved protein 0.0154 0.0474 0.1423
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0017 0.0009
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0333 0.1093 0.1086
Echinococcus multilocularis neuropeptide receptor A26 0.052 0.1739 0.1732
Plasmodium vivax SET domain protein, putative 0.0035 0.0064 0.1295
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0064 0.0165 0.0157
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0017 0.0055
Schistosoma mansoni hypothetical protein 0.0194 0.0615 0.0607
Loa Loa (eye worm) hypothetical protein 0.0021 0.0017 0.0055
Treponema pallidum bacterioferrin (TpF1) 0.0036 0.0069 0.0522
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0013 0.0093
Echinococcus granulosus excitatory amino acid transporter 3 0.0751 0.2536 0.253
Trypanosoma brucei PAB1-binding protein , putative 0.0055 0.0132 0.2659
Brugia malayi hypothetical protein 0.0035 0.0066 0.0227
Toxoplasma gondii thioredoxin reductase 0.0046 0.0102 0.1454
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0064 0.0165 0.1715
Toxoplasma gondii ABC1 family protein 0.0154 0.0474 0.7506
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0064 0.0165 0.0157
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0154 0.0474 0.1423
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.0922 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0017 0.0009
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0198 0.0627 0.0619
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0132 0.2659
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.0305 0.0916
Onchocerca volvulus Bile acid receptor homolog 0.0021 0.0017 0.0003
Treponema pallidum glutamate transporter 0.0333 0.1093 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.0922 1
Echinococcus multilocularis excitatory amino acid transporter 2 0.0751 0.2536 0.253
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0017 0.0009
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0154 0.0474 0.0466
Loa Loa (eye worm) RGS-3 protein 0.0019 0.0008 0.002
Loa Loa (eye worm) hypothetical protein 0.0055 0.0132 0.051
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0277 0.0269
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0102 0.2104
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0023 0.0321
Echinococcus granulosus neutral amino acid transporter A 0.0751 0.2536 0.253
Echinococcus multilocularis neutral amino acid transporter A 0.0751 0.2536 0.253
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0009 0.0026
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0105 0.0305 0.625
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.0064 0.0056
Brugia malayi Thioredoxin reductase 0.0046 0.0102 0.0372
Schistosoma mansoni hypothetical protein 0.0087 0.0244 0.0236
Schistosoma mansoni aldehyde dehydrogenase 0.0198 0.0627 0.0619
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0751 0.2536 0.7618
Echinococcus granulosus histone acetyltransferase KAT2B 0.0158 0.0491 0.0483
Schistosoma mansoni smad1 5 8 and 0.0035 0.0065 0.0057
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0017 0.0035
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.0922 1
Treponema pallidum fructose-bisphosphate aldolase 0.0283 0.0922 0.8416
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0017 0.0035
Brugia malayi steroid hormone receptor 0.0021 0.0017 0.0035
Schistosoma mansoni coup transcription factor 0.0021 0.0017 0.0009
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0751 0.2536 0.253
Echinococcus multilocularis Smad4 0.0035 0.0065 0.0057
Entamoeba histolytica hypothetical protein 0.0194 0.0615 0.6642
Mycobacterium ulcerans hypothetical protein 0.0154 0.0474 0.7545
Mycobacterium ulcerans aldehyde dehydrogenase 0.0198 0.0627 1
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.0072 0.0064
Echinococcus multilocularis Excitatory amino acid transporter 0.0751 0.2536 0.253
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0048 0.011 0.1572
Loa Loa (eye worm) hypothetical protein 0.0021 0.0017 0.0055
Loa Loa (eye worm) MH2 domain-containing protein 0.0035 0.0065 0.0243
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.0922 1
Loa Loa (eye worm) excitatory amino acid transporter 0.0751 0.2536 1
Onchocerca volvulus 0.0154 0.0474 0.1816
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0154 0.0474 0.1423
Onchocerca volvulus 0.0021 0.0017 0.0003
Schistosoma mansoni hypothetical protein 0.0087 0.0244 0.0236
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0154 0.0474 0.1423
Brugia malayi MH1 domain containing protein 0.0035 0.0065 0.0224
Echinococcus multilocularis neutral amino acid transporter A 0.0751 0.2536 0.253
Echinococcus granulosus expressed protein 0.0362 0.1193 0.1186
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0275 0.0892 0.3508
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0017 0.0009
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0017 0.0009
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0017 0.0035
Toxoplasma gondii LsmAD domain-containing protein 0.0055 0.0132 0.1944
Schistosoma mansoni transcription factor LCR-F1 0.0194 0.0615 0.0607
Echinococcus granulosus sodium:dicarboxylate symporter 0.0751 0.2536 0.253
Schistosoma mansoni smad 0.0035 0.0065 0.0057
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0102 0.2012
Trypanosoma brucei trypanothione reductase 0.0046 0.0102 0.2012
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0017 0.0009
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0023 0.0165
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0017 0.0009
Plasmodium falciparum histone acetyltransferase GCN5 0.0044 0.0096 0.7163
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0017 0.0055
Schistosoma mansoni survival motor neuron protein 0.01 0.0289 0.0281
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.0922 1
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0165 0.3359
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0087 0.0244 0.0236
Echinococcus multilocularis survival motor neuron protein 1 0.0489 0.1633 0.1627
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0019 0.0008 0.002
Brugia malayi glutathione reductase 0.0046 0.0102 0.0372
Plasmodium falciparum LCCL domain-containing protein 0.0021 0.0016 0.1012
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0023 0.007
Loa Loa (eye worm) hypothetical protein 0.0275 0.0892 0.3508
Leishmania major trypanothione reductase 0.0046 0.0102 0.1514
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0017 0.0035
Brugia malayi nuclear hormone receptor 0.0021 0.0017 0.0035
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0087 0.0244 0.0932
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0102 0.0391
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.0277 0.1081
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.0029 0.002
Echinococcus multilocularis neuropeptide s receptor 0.052 0.1739 0.1732
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0017 0.0009
Echinococcus multilocularis smad 0.0035 0.0065 0.0057
Echinococcus granulosus excitatory amino acid transporter 2 0.0751 0.2536 0.253
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0017 0.0009
Mycobacterium ulcerans aldehyde dehydrogenase 0.0198 0.0627 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0017 0.0055
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0163 0.0507 0.0499
Loa Loa (eye worm) hypothetical protein 0.0154 0.0474 0.1858
Loa Loa (eye worm) hypothetical protein 0.0019 0.0008 0.002
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0013 0.0052
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.0029 0.002
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0132 0.2659
Echinococcus granulosus Excitatory amino acid transporter 0.0751 0.2536 0.253
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.0132 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0017 0.0009
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0021 0.0017 0.0003
Leishmania major hypothetical protein, conserved 0.0055 0.0132 0.2
Schistosoma mansoni ap endonuclease 0.002 0.0013 0.0005
Schistosoma mansoni loxhd1 0.0021 0.0016 0.0008
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0013 0.0052
Onchocerca volvulus 0.0276 0.0897 0.3496
Loa Loa (eye worm) cytochrome P450 family protein 0.0037 0.0073 0.0277
Mycobacterium ulcerans lipase LipD 0.0154 0.0474 0.7545
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.012 0.0112
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0017 0.0035
Schistosoma mansoni ferritin 0.0036 0.0069 0.0061
Echinococcus granulosus Excitatory amino acid transporter 0.0751 0.2536 0.253
Loa Loa (eye worm) hypothetical protein 0.0023 0.0023 0.0079
Trichomonas vaginalis esterase, putative 0.0154 0.0474 0.5097
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0013 0.0093
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0017 0.0035
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0017 0.0035
Loa Loa (eye worm) latrophilin receptor protein 2 0.0087 0.0244 0.095
Echinococcus granulosus Smad4 0.0035 0.0065 0.0057
Loa Loa (eye worm) hypothetical protein 0.0051 0.012 0.0462
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0017 0.0009
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0023 0.006
Brugia malayi acetyltransferase, GNAT family protein 0.0163 0.0507 0.1972
Plasmodium falciparum thioredoxin reductase 0.0046 0.0102 0.767
Mycobacterium leprae conserved hypothetical protein 0.0154 0.0474 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0154 0.0474 0.1842
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0009 0.0005
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0017 0.0009
Loa Loa (eye worm) hypothetical protein 0.0154 0.0474 0.1858
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0009 0.0005
Loa Loa (eye worm) hypothetical protein 0.0154 0.0474 0.1858
Loa Loa (eye worm) hypothetical protein 0.0035 0.0064 0.0241
Loa Loa (eye worm) acetyltransferase 0.0163 0.0507 0.1988
Mycobacterium tuberculosis Probable lipase LipE 0.0154 0.0474 0.1423
Plasmodium vivax ataxin-2 like protein, putative 0.0055 0.0132 0.2743
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0017 0.0009
Echinococcus granulosus excitatory amino acid transporter 2 0.0751 0.2536 0.253
Trichomonas vaginalis D-aminoacylase, putative 0.0154 0.0474 0.5097
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0017 0.0009
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0064 0.0165 0.0157
Onchocerca volvulus 0.0051 0.012 0.0413
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0277 0.0269
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0017 0.0035
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0009 0.0021
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0087 0.0244 0.0236
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0048 0.011 0.1572
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0017 0.0009
Schistosoma mansoni lipoxygenase 0.0059 0.0146 0.0138
Onchocerca volvulus 0.0035 0.0064 0.019
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0023 0.0321
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0009 0.0086
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0277 0.0269
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0154 0.0474 0.0466
Chlamydia trachomatis neutral amino acid transporter 0.0333 0.1093 0.4302
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0036 0.0069 0.0208
Loa Loa (eye worm) hypothetical protein 0.0154 0.0474 0.1858
Schistosoma mansoni ferritin light chain 0.0036 0.0069 0.0061
Schistosoma mansoni ferritin 0.0036 0.0069 0.0061
Loa Loa (eye worm) hypothetical protein 0.0489 0.1633 0.6435
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.0277 0.1063
Loa Loa (eye worm) hypothetical protein 0.0019 0.0008 0.002
Brugia malayi Doublecortin family protein 0.0021 0.0016 0.0032
Schistosoma mansoni apoferritin-2 0.0036 0.0069 0.0061
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0017 0.0009
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0009 0.0005
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0017 0.0035
Echinococcus multilocularis Excitatory amino acid transporter 0.0751 0.2536 0.253
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0016 0.0008
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0017 0.0055
Schistosoma mansoni hypothetical protein 0.01 0.0289 0.0281
Echinococcus multilocularis excitatory amino acid transporter 3 0.0751 0.2536 0.253
Brugia malayi beta-lactamase family protein 0.0154 0.0474 0.1842
Loa Loa (eye worm) glutathione reductase 0.0046 0.0102 0.0391
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0283 0.0922 1
Loa Loa (eye worm) nuclear factor I 0.0019 0.0011 0.003
Loa Loa (eye worm) hypothetical protein 0.0021 0.0017 0.0055
Brugia malayi Calcitonin receptor-like protein seb-1 0.0275 0.0892 0.3495
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0138 0.0422 0.6708
Plasmodium vivax glutathione reductase, putative 0.0046 0.0102 0.2104
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0009 0.0086
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0277 0.0269
Loa Loa (eye worm) hypothetical protein 0.0023 0.0023 0.0079
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.0345 0.7144
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0165 0.3359
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0017 0.0009
Brugia malayi hypothetical protein 0.0021 0.0016 0.0032
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0017 0.0055
Brugia malayi Latrophilin receptor protein 2 0.0087 0.0244 0.0932
Loa Loa (eye worm) hypothetical protein 0.0154 0.0474 0.1858
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0102 0.0094
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0243 0.0782 0.3073
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0016 0.0008
Brugia malayi hypothetical protein 0.0489 0.1633 0.6428
Echinococcus multilocularis tumor protein p63 0.0349 0.1148 0.1141
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0013 0.0052
Mycobacterium leprae Probable lipase LipE 0.0154 0.0474 1
Schistosoma mansoni hypothetical protein 0.0087 0.0244 0.0236
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0035 0.0065 0.0057
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0009 0.0002
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0023 0.0321
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0017 0.0009
Loa Loa (eye worm) hypothetical protein 0.0019 0.0008 0.002
Schistosoma mansoni aldehyde dehydrogenase 0.0198 0.0627 0.0619
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0017 0.0009
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0017 0.0009
Loa Loa (eye worm) hypothetical protein 0.0019 0.0008 0.002
Loa Loa (eye worm) hypothetical protein 0.0021 0.0016 0.0052
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.0064 0.0056
Trichomonas vaginalis bromodomain-containing protein, putative 0.0048 0.011 0.1109
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0333 0.1093 0.1086
Mycobacterium ulcerans bacterioferritin BfrB 0.0036 0.0069 0.106
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0017 0.0009
Mycobacterium tuberculosis Probable lipase LipD 0.0154 0.0474 0.1423
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.0305 0.0916
Entamoeba histolytica hypothetical protein 0.0194 0.0615 0.6642
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0017 0.0055
Loa Loa (eye worm) hypothetical protein 0.0019 0.0011 0.003
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0035 0.0065 0.0057
Brugia malayi Pre-SET motif family protein 0.0243 0.0782 0.3059
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0023 0.006
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.2622 0.8994 0.8993
Brugia malayi MH2 domain containing protein 0.0514 0.1717 0.6758
Schistosoma mansoni ferritin 0.0036 0.0069 0.0061
Loa Loa (eye worm) PXA domain-containing protein 0.0019 0.0008 0.002
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0087 0.0244 0.0236
Brugia malayi MH1 domain containing protein 0.0019 0.0011 0.0011
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0013 0.0019
Echinococcus granulosus mothers against decapentaplegic 5 0.0035 0.0065 0.0057
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0023 0.0321
Brugia malayi Cytochrome P450 family protein 0.0037 0.0073 0.0258
Echinococcus granulosus Polycystic kidney disease protein 0.0021 0.0016 0.0008
Schistosoma mansoni ap endonuclease 0.002 0.0013 0.0005
Plasmodium falciparum glutathione reductase 0.0046 0.0102 0.767
Onchocerca volvulus 0.01 0.0289 0.1081
Echinococcus multilocularis ferritin 0.0036 0.0069 0.0061
Echinococcus granulosus smad 0.0035 0.0065 0.0057
Mycobacterium ulcerans hypothetical protein 0.0023 0.0023 0.0321
Mycobacterium tuberculosis Probable esterase LipL 0.0154 0.0474 0.1423
Mycobacterium tuberculosis Probable reductase 0.0105 0.0305 0.0916
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0016 0.0008
Echinococcus granulosus beta LACTamase domain containing family member 0.0154 0.0474 0.0466
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.0345 0.1037
Mycobacterium tuberculosis Conserved protein 0.0154 0.0474 0.1423
Loa Loa (eye worm) hypothetical protein 0.0087 0.0244 0.095
Loa Loa (eye worm) Smad1 0.0035 0.0065 0.0243
Brugia malayi MH1 domain containing protein 0.0035 0.0065 0.0224
Chlamydia trachomatis glutamate symporter 0.0751 0.2536 1
Brugia malayi beta-lactamase 0.0154 0.0474 0.1842
Schistosoma mansoni polycystin 1-related 0.0021 0.0016 0.0008
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0087 0.0244 0.0236
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0009 0.0002
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0048 0.011 0.1109
Loa Loa (eye worm) hypothetical protein 0.0154 0.0474 0.1858
Schistosoma mansoni hypothetical protein 0.0087 0.0244 0.0236
Echinococcus granulosus expressed protein 0.0036 0.0069 0.0061
Brugia malayi MH2 domain containing protein 0.0035 0.0065 0.0224
Trichomonas vaginalis penicillin-binding protein, putative 0.0154 0.0474 0.5097
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0023 0.0237
Schistosoma mansoni lipoxygenase 0.0021 0.0016 0.0008
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0138 0.0422 0.1267
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.0305 0.0916
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0017 0.0035
Echinococcus multilocularis GPCR, family 2 0.0087 0.0244 0.0236
Brugia malayi Pre-SET motif family protein 0.0035 0.0064 0.0221
Echinococcus multilocularis expressed protein 0.0362 0.1193 0.1186
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0165 0.3359
Echinococcus granulosus transcription factor Dp 1 0.0037 0.0072 0.0064
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0064 0.0056
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0019 0.0008 0.002
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0198 0.0627 0.1884
Brugia malayi hypothetical protein 0.0055 0.0132 0.0491
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0017 0.0055
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0016 0.0008
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0017 0.0035
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0333 0.1093 0.1086
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.0305 0.0916
Loa Loa (eye worm) hypothetical protein 0.0023 0.0023 0.0079
Mycobacterium tuberculosis Probable hydrolase 0.0154 0.0474 0.1423
Echinococcus granulosus GPCR family 2 0.0087 0.0244 0.0236
Schistosoma mansoni rab6-interacting 0.0021 0.0016 0.0008
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0035 0.0064 0.0834
Trichomonas vaginalis D-aminoacylase, putative 0.0154 0.0474 0.5097
Echinococcus granulosus RUN 0.0021 0.0016 0.0008
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0017 0.0009
Echinococcus multilocularis excitatory amino acid transporter 2 0.0751 0.2536 0.253
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.0064 0.0056
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0017 0.0009
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0064 0.0165 0.2527
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0017 0.0009
Trypanosoma brucei hypothetical protein, conserved 0.0154 0.0474 1
Brugia malayi Excitatory amino acid transporter 0.0751 0.2536 1
Trichomonas vaginalis set domain proteins, putative 0.0276 0.0897 0.973
Onchocerca volvulus 0.0154 0.0474 0.1816
Brugia malayi hypothetical protein 0.0021 0.0016 0.0032
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.0922 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0017 0.0055
Trichomonas vaginalis penicillin-binding protein, putative 0.0154 0.0474 0.5097
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0017 0.0009
Echinococcus granulosus ferritin 0.0036 0.0069 0.0061
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.0345 0.1037
Loa Loa (eye worm) hypothetical protein 0.0021 0.0017 0.0055
Loa Loa (eye worm) hypothetical protein 0.0021 0.0017 0.0055
Echinococcus granulosus histone acetyltransferase KAT2B 0.0048 0.011 0.0101
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.0922 1
Trypanosoma cruzi hypothetical protein, conserved 0.0154 0.0474 1
Mycobacterium ulcerans beta-lactamase 0.0154 0.0474 0.7545
Leishmania major hypothetical protein, conserved 0.0154 0.0474 0.7523
Loa Loa (eye worm) hypothetical protein 0.0188 0.0592 0.2324
Loa Loa (eye worm) hypothetical protein 0.0021 0.0017 0.0055
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0023 0.0165
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0013 0.0207
Brugia malayi latrophilin 2 splice variant baaae 0.0188 0.0592 0.2309
Entamoeba histolytica hypothetical protein 0.0194 0.0615 0.6642
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0034 0.006 0.0052
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0277 0.0269
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0059 0.0146 0.0138
Giardia lamblia Histone acetyltransferase GCN5 0.0044 0.0096 0.0954
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0102 0.0094
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0198 0.0627 1
Echinococcus granulosus tumor protein p63 0.0349 0.1148 0.1141
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0017 0.0055
Loa Loa (eye worm) transcription factor SMAD2 0.0514 0.1717 0.6764
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0064 0.0056
Schistosoma mansoni ferritin 0.0036 0.0069 0.0061
Onchocerca volvulus 0.0023 0.0023 0.0028
Echinococcus multilocularis neutral amino acid transporter A 0.0751 0.2536 0.253
Brugia malayi ecdysteroid receptor 0.0021 0.0017 0.0035
Loa Loa (eye worm) MH1 domain-containing protein 0.0035 0.0065 0.0243
Mycobacterium tuberculosis Conserved protein 0.0154 0.0474 0.1423
Echinococcus multilocularis mothers against decapentaplegic 5 0.0035 0.0065 0.0057
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0017 0.0035
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0023 0.0321
Treponema pallidum glutamate/aspartate transporter 0.0333 0.1093 1
Schistosoma mansoni hypothetical protein 0.0021 0.0016 0.0008
Schistosoma mansoni hypothetical protein 0.0024 0.0029 0.002
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0283 0.0922 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0514 0.1717 0.6764
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0194 0.0615 0.0607
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.0305 0.0916
Echinococcus multilocularis RUN 0.0021 0.0016 0.0008
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.0922 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0102 0.0307
Schistosoma mansoni Smad4 0.0035 0.0065 0.0057
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0064 0.0165 0.0638
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0154 0.0474 0.7545
Loa Loa (eye worm) beta-lactamase 0.0154 0.0474 0.1858
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0059 0.0146 0.0138
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0009 0.0026
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0333 0.1093 0.1086
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0017 0.0009
Onchocerca volvulus 0.0154 0.0474 0.1816
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0013 0.0093
Schistosoma mansoni apoferritin-2 0.0036 0.0069 0.0061
Schistosoma mansoni smad1 5 8 and 0.0035 0.0065 0.0057
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0035 0.0064 0.0056
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0013 0.0005
Trichomonas vaginalis ferritin, putative 0.0036 0.0069 0.0669
Echinococcus multilocularis expressed protein 0.0036 0.0069 0.0061
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0023 0.0321
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0163 0.0507 0.0499
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0017 0.0009
Mycobacterium ulcerans esterase/lipase LipP 0.0154 0.0474 0.7545
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0013 0.0039
Brugia malayi beta-lactamase family protein 0.0154 0.0474 0.1842
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0003 0.001

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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