Detailed information for compound 687860

Basic information

Technical information
  • TDR Targets ID: 687860
  • Name: 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N- (2-fluorophenyl)acetamide
  • MW: 315.339 | Formula: C18H18FNO3
  • H donors: 1 H acceptors: 1 LogP: 3.52 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1F)COc1cccc2c1OC(C2)(C)C
  • InChi: 1S/C18H18FNO3/c1-18(2)10-12-6-5-9-15(17(12)23-18)22-11-16(21)20-14-8-4-3-7-13(14)19/h3-9H,10-11H2,1-2H3,(H,20,21)
  • InChiKey: XDNDULIMYFWREQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-N-(2-fluorophenyl)acetamide
  • 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-fluorophenyl)ethanamide
  • ZINC06215770
  • PB28368240

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.003 0.0109
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0204 0.0656
Leishmania major DNA polymerase eta, putative 0.0031 0.0158 0.1511
Echinococcus multilocularis chromobox protein 1 0.0068 0.0538 0.0513
Treponema pallidum glutamate transporter 0.0124 0.1118 1
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.011 0.0404
Leishmania major DNA polymerase kappa, putative 0.0019 0.0032 0.0068
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0032 0.0068
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0295 0.0994
Schistosoma mansoni lamin 0.0027 0.011 0.0311
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.011 0.0311
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.0021 0.0045 0.0215
Loa Loa (eye worm) beta-lactamase 0.0036 0.0204 0.0656
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0032 0.0022
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0032 0.0023
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0204 0.0672
Loa Loa (eye worm) intermediate filament protein 0.0027 0.011 0.0311
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0279 0.2733 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.0626 0.2217
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0227 0.0762
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0204 0.2031
Echinococcus granulosus sodium:dicarboxylate symporter 0.0279 0.2733 1
Toxoplasma gondii ABC1 family protein 0.0036 0.0204 0.2031
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.003 0.0013
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0626 0.2217
Echinococcus granulosus leucyl aminopeptidase 0.0021 0.0045 0.0069
Echinococcus multilocularis leucine aminopeptidase protein 0.0103 0.0901 0.0877
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0258 0.0876
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0021 0.0045 0.0165
Mycobacterium tuberculosis Conserved protein 0.0036 0.0204 0.0656
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0124 0.1118 0.4033
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0204 0.0656
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0227 0.0762
Leishmania major hypothetical protein, conserved 0.0036 0.0204 0.2031
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0032 0.0022
Echinococcus granulosus geminin 0.0169 0.1582 0.5747
Schistosoma mansoni hypothetical protein 0.0019 0.003 0.0013
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0279 0.2733 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0032 0.0068
Brugia malayi Aminopeptidase W07G4.4 in chromosome V 0.0021 0.0045 0.0165
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0124 0.1118 0.1095
Schistosoma mansoni chromobox protein 0.0068 0.0538 0.1889
Toxoplasma gondii leucyl aminopeptidase LAP 0.0103 0.0901 1
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17, putative 0.0103 0.0901 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0204 0.2031
Giardia lamblia DINP protein human, muc B family 0.0019 0.0032 1
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0032 0.0006
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0517 0.5608
Echinococcus granulosus dna polymerase eta 0.0045 0.0296 0.0998
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0204 0.0656
Loa Loa (eye worm) hypothetical protein 0.0038 0.0227 0.0744
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0066 0.0517 0.0492
Loa Loa (eye worm) hypothetical protein 0.0036 0.0204 0.0656
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0092 0.0756
Echinococcus granulosus chromobox protein 1 0.0068 0.0538 0.1889
Schistosoma mansoni hypothetical protein 0.0019 0.003 0.0013
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0032 0.0023
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0204 0.0672
Onchocerca volvulus 0.0036 0.0204 0.0356
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0032 0.0022
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0032 0.0068
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0457 0.1592
Mycobacterium tuberculosis Probable aminopeptidase PepB 0.0103 0.0901 0.3231
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0032 0.0068
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0229 0.2207 0.8057
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0204 0.2031
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0066 0.0517 0.1812
Echinococcus granulosus transcription factor Dp 1 0.0038 0.0228 0.0747
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0295 0.0994
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0112 0.0325
Mycobacterium tuberculosis Conserved protein 0.0036 0.0204 0.0656
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0092 0.0756
Mycobacterium ulcerans leucyl aminopeptidase 0.0103 0.0901 0.3311
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0032 0.0023
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0032 0.0121
Schistosoma mansoni hypothetical protein 0.0169 0.1582 0.5747
Treponema pallidum glutamate/aspartate transporter 0.0124 0.1118 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0032 0.0068
Trypanosoma brucei DNA polymerase eta, putative 0.0045 0.0296 0.3089
Mycobacterium ulcerans beta-lactamase 0.0036 0.0204 0.0672
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0092 0.0756
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.0158 0.1511
Brugia malayi cytosol aminopeptidase 0.0021 0.0045 0.0165
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0204 0.0656
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0204 0.0672
Schistosoma mansoni lamin 0.0027 0.011 0.0311
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0295 0.0994
Brugia malayi beta-lactamase family protein 0.0036 0.0204 0.0745
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0204 0.0672
Echinococcus multilocularis musashi 0.0027 0.011 0.0084
Chlamydia trachomatis neutral amino acid transporter 0.0124 0.1118 0.1185
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1329 0.4813
Echinococcus multilocularis lamin 0.0027 0.011 0.0084
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0204 0.2031
Loa Loa (eye worm) aminopeptidase in chromosome V 0.0021 0.0045 0.0069
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0626 0.2217
Loa Loa (eye worm) hypothetical protein 0.0036 0.0204 0.0656
Echinococcus multilocularis neutral amino acid transporter A 0.0279 0.2733 0.2714
Loa Loa (eye worm) hypothetical protein 0.0045 0.0296 0.0998
Wolbachia endosymbiont of Brugia malayi leucyl aminopeptidase 0.0103 0.0901 0.3231
Schistosoma mansoni leucine aminopeptidase 0.0021 0.0045 0.0069
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0032 0.0068
Echinococcus granulosus neutral amino acid transporter A 0.0279 0.2733 1
Echinococcus granulosus ankyrin repeat domain containing protein 17 0.0021 0.0045 0.0069
Loa Loa (eye worm) hypothetical protein 0.0036 0.0204 0.0656
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0626 0.2217
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0032 0.0068
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0204 0.0656
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0295 0.0994
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0021 0.0045 0.0215
Echinococcus granulosus leucine aminopeptidase protein 0.0103 0.0901 0.3231
Echinococcus multilocularis geminin 0.0169 0.1582 0.156
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.003 0.0013
Loa Loa (eye worm) hypothetical protein 0.0027 0.011 0.0311
Schistosoma mansoni chromobox protein 0.0068 0.0538 0.1889
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.003 0.0004
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0626 0.2291
Echinococcus granulosus neutral amino acid transporter A 0.0279 0.2733 1
Schistosoma mansoni hypothetical protein 0.0019 0.003 0.0013
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.0538 0.1889
Loa Loa (eye worm) hypothetical protein 0.0036 0.0204 0.0656
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.0228 0.0203
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0204 0.0672
Loa Loa (eye worm) hypothetical protein 0.0041 0.0259 0.0861
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0204 0.0178
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0026 0.0096
Loa Loa (eye worm) hypothetical protein 0.0019 0.003 0.0013
Echinococcus multilocularis excitatory amino acid transporter 2 0.0279 0.2733 0.2714
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0295 0.027
Echinococcus granulosus intermediate filament protein 0.0027 0.011 0.0311
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0032 0.0068
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0032 0.0068
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0021 0.0045 0.0215
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0204 0.0656
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0227 0.0446
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0259 0.0949
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0626 0.2217
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1329 0.4813
Loa Loa (eye worm) hypothetical protein 0.003 0.0142 0.0428
Brugia malayi chromobox protein homolog 3 0.0038 0.0227 0.0832
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0032 0.0118
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0279 0.2733 0.2714
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0032 0.0068
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0279 0.2733 0.2714
Brugia malayi beta-lactamase family protein 0.0036 0.0204 0.0745
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0517 0.5608
Echinococcus granulosus chromobox protein 1 0.0068 0.0538 0.1889
Trypanosoma cruzi cytosolic leucyl aminopeptidase, putative 0.0103 0.0901 1
Echinococcus granulosus excitatory amino acid transporter 3 0.0279 0.2733 1
Echinococcus multilocularis Excitatory amino acid transporter 0.0279 0.2733 0.2714
Echinococcus multilocularis leucyl aminopeptidase 0.0021 0.0045 0.0019
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0032 0.0022
Schistosoma mansoni hypothetical protein 0.0169 0.1582 0.5747
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0032 0.0068
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0204 0.0745
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0103 0.0901 1
Echinococcus multilocularis lamin dm0 0.0027 0.011 0.0084
Onchocerca volvulus 0.003 0.0142 0.012
Onchocerca volvulus 0.0036 0.0204 0.0356
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0032 0.0068
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0626 0.0602
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.0158 0.1511
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0021 0.0045 0.0215
Brugia malayi Heterochromatin protein 1 0.0068 0.0538 0.1967
Echinococcus granulosus Excitatory amino acid transporter 0.0279 0.2733 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0092 0.0756
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0032 0.0068
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0021 0.0045 0.0215
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0032 0.0068
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0626 0.2217
Echinococcus multilocularis leucyl aminopeptidase 0.0021 0.0045 0.0019
Trypanosoma brucei unspecified product 0.0019 0.0032 0.0068
Echinococcus multilocularis excitatory amino acid transporter 2 0.0279 0.2733 0.2714
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0204 0.0672
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0204 0.0656
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0032 0.0068
Brugia malayi Aminopeptidase ZK353.6 in chromosome III 0.0021 0.0045 0.0165
Chlamydia trachomatis glutamate symporter 0.0279 0.2733 1
Brugia malayi RNA binding protein 0.0076 0.0626 0.2291
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0457 0.1672
Schistosoma mansoni glutaminase 0.0273 0.2667 0.9757
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0032 0.0006
Brugia malayi hypothetical protein 0.0025 0.0092 0.0338
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.0021 0.0045 0.0215
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0279 0.2733 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0295 0.108
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0517 0.5608
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0258 0.0561
Trichomonas vaginalis esterase, putative 0.0036 0.0204 0.0672
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.0296 0.3089
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0295 0.027
Brugia malayi intermediate filament protein 0.0027 0.011 0.0404
Loa Loa (eye worm) aminopeptidase in chromosome III 0.0021 0.0045 0.0069
Mycobacterium tuberculosis Conserved protein 0.0036 0.0204 0.0656
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0092 0.0756
Echinococcus multilocularis neutral amino acid transporter A 0.0279 0.2733 0.2714
Leishmania major DNA polymerase eta, putative 0.0045 0.0296 0.3089
Echinococcus granulosus lamin 0.0027 0.011 0.0311
Trypanosoma brucei aminopeptidase, putative 0.0021 0.0045 0.0215
Loa Loa (eye worm) hypothetical protein 0.006 0.0457 0.1592
Echinococcus granulosus leucyl aminopeptidase 0.0021 0.0045 0.0069
Echinococcus multilocularis dna polymerase eta 0.0045 0.0296 0.0271
Brugia malayi MH2 domain containing protein 0.0144 0.1329 0.4862
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0032 0.0068
Loa Loa (eye worm) excitatory amino acid transporter 0.0279 0.2733 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.003 0.0004
Echinococcus multilocularis excitatory amino acid transporter 3 0.0279 0.2733 0.2714
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0538 0.1936
Trichomonas vaginalis glutaminase, putative 0.0273 0.2667 1
Plasmodium falciparum M17 leucyl aminopeptidase 0.0103 0.0901 1
Onchocerca volvulus 0.0036 0.0204 0.0356
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0066 0.0517 0.5608
Echinococcus granulosus excitatory amino acid transporter 2 0.0279 0.2733 1
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0204 0.0672
Echinococcus multilocularis leucyl aminopeptidase 0.0021 0.0045 0.0019
Mycobacterium ulcerans glutaminase 0.0273 0.2667 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0021 0.0045 0.0215
Echinococcus granulosus dna polymerase kappa 0.0019 0.0032 0.0022
Schistosoma mansoni DNA polymerase eta 0.0045 0.0296 0.0998
Mycobacterium ulcerans lipase LipD 0.0036 0.0204 0.0672
Mycobacterium ulcerans hypothetical protein 0.0036 0.0204 0.0672
Brugia malayi Latrophilin receptor protein 2 0.0019 0.003 0.0109
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0626 0.2217
Echinococcus multilocularis chromobox protein 1 0.0068 0.0538 0.0513
Echinococcus granulosus neutral amino acid transporter 0.0279 0.2733 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0066 0.0517 0.189
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0066 0.0517 0.1812
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0204 0.0656
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.003 0.0013
Echinococcus multilocularis neutral amino acid transporter A 0.0279 0.2733 0.2714
Loa Loa (eye worm) RNA binding protein 0.0076 0.0626 0.2217
Loa Loa (eye worm) hypothetical protein 0.0036 0.0204 0.0656
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0295 0.0994
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0032 0.0022
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0066 0.0517 0.1812
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0112 0.0325
Brugia malayi beta-lactamase 0.0036 0.0204 0.0745
Brugia malayi Excitatory amino acid transporter 0.0279 0.2733 1
Brugia malayi ImpB/MucB/SamB family protein 0.0045 0.0296 0.1084
Loa Loa (eye worm) hypothetical protein 0.0025 0.0092 0.0244
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0032 0.0068
Schistosoma mansoni hypothetical protein 0.0019 0.003 0.0013
Loa Loa (eye worm) hypothetical protein 0.0026 0.0105 0.0292
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0204 0.0656
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0279 0.2733 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0204 0.0656
Leishmania major hypothetical protein, conserved 0.0025 0.0092 0.0756
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0124 0.1118 0.1095
Brugia malayi TAR-binding protein 0.0076 0.0626 0.2291
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0092 0.0756
Plasmodium vivax M17 leucyl aminopeptidase, putative 0.0103 0.0901 1
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0258 0.0876
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0626 0.2217
Schistosoma mansoni hypothetical protein 0.0041 0.0259 0.0861
Echinococcus granulosus GPCR family 2 0.0019 0.003 0.0013
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.003 0.0004
Loa Loa (eye worm) glutaminase 2 0.0273 0.2667 0.9757
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0066 0.0517 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0032 0.0068
Loa Loa (eye worm) glutaminase 0.0273 0.2667 0.9757
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0124 0.1118 0.4033
Schistosoma mansoni intermediate filament proteins 0.0027 0.011 0.0311
Echinococcus granulosus Excitatory amino acid transporter 0.0279 0.2733 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0457 0.1672
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0032 0.0023
Loa Loa (eye worm) hypothetical protein 0.0036 0.0204 0.0656
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0538 0.1936
Echinococcus granulosus lamin dm0 0.0027 0.011 0.0311
Schistosoma mansoni PwLAP aminopeptidase (M17 family) 0.0021 0.0045 0.0069
Leishmania major cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 0.0103 0.0901 1
Mycobacterium leprae Probable cytosol aminopeptidase PepB 0.0103 0.0901 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0295 0.0994
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0092 0.0756
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0204 0.0656
Echinococcus granulosus excitatory amino acid transporter 2 0.0279 0.2733 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0032 0.0022
Brugia malayi glutaminase DH11.1 0.0273 0.2667 0.9759
Echinococcus multilocularis Excitatory amino acid transporter 0.0279 0.2733 0.2714

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.9953 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.99 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 14.1254 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) 15.8489 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 75.193 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (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.
 
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

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.