Detailed information for compound 1471659

Basic information

Technical information
  • TDR Targets ID: 1471659
  • Name: [2-[1-(benzoyl)-5-(4-methoxyphenyl)-4,5-dihyd ropyrazol-3-yl]-5-methoxyphenyl] acetate
  • MW: 444.479 | Formula: C26H24N2O5
  • H donors: 0 H acceptors: 2 LogP: 4.05 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C1CC(=NN1C(=O)c1ccccc1)c1ccc(cc1OC(=O)C)OC
  • InChi: 1S/C26H24N2O5/c1-17(29)33-25-15-21(32-3)13-14-22(25)23-16-24(18-9-11-20(31-2)12-10-18)28(27-23)26(30)19-7-5-4-6-8-19/h4-15,24H,16H2,1-3H3
  • InChiKey: PKXAFAMRMDCWFJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [2-[1-(benzoyl)-5-(4-methoxyphenyl)-4,5-dihydropyrazol-3-yl]-5-methoxy-phenyl] acetate
  • acetic acid [5-methoxy-2-[5-(4-methoxyphenyl)-1-(oxo-phenylmethyl)-4,5-dihydropyrazol-3-yl]phenyl] ester
  • acetic acid [2-[1-(benzoyl)-5-(4-methoxyphenyl)-4,5-dihydropyrazol-3-yl]-5-methoxy-phenyl] ester
  • [5-methoxy-2-[5-(4-methoxyphenyl)-1-phenylcarbonyl-4,5-dihydropyrazol-3-yl]phenyl] ethanoate
  • STOCK4S-33837

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 glucosidase, beta, acid 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) RNA 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) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum TAR DNA-binding protein 43, putative 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
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi TAR-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
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
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
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0642 0.574
Schistosoma mansoni vesicular amine transporter 0.0099 0.0175 0.1869
Brugia malayi Immunoglobulin I-set domain containing protein 0.0061 0.0009 0.0009
Schistosoma mansoni growth factor receptor-bound protein 0.0072 0.0055 0.0586
Loa Loa (eye worm) hypothetical protein 0.0099 0.0175 0.0175
Brugia malayi Protein kinase domain containing protein 0.0091 0.0142 0.0142
Echinococcus multilocularis tyrosine protein kinase Blk 0.0091 0.0142 0.0569
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.0691 0.6178
Brugia malayi Variant SH3 domain containing protein 0.0072 0.0055 0.0055
Schistosoma mansoni tyrosine kinase 0.0127 0.0298 0.3178
Loa Loa (eye worm) hypothetical protein 0.019 0.0579 0.058
Loa Loa (eye worm) hypothetical protein 0.0272 0.0938 0.0938
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0092 0.0142 0.0212
Echinococcus granulosus tar DNA binding protein 0.0076 0.0076 0.0304
Echinococcus multilocularis roundabout 2 0.019 0.0579 0.2326
Schistosoma mansoni tyrosine kinase 0.0127 0.0298 0.3178
Echinococcus granulosus peroxidasin 0.0092 0.0146 0.0583
Echinococcus multilocularis MAM 0.0272 0.0938 0.3766
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0076 0.0076
Brugia malayi Protein kinase domain containing protein 0.0091 0.0142 0.0142
Echinococcus multilocularis neuroglian 0.0158 0.0437 0.1754
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0127 0.0298 0.1197
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0127 0.0298 0.1197
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0127 0.0298 0.1197
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0127 0.0298 0.1188
Schistosoma mansoni cell adhesion molecule 0.0092 0.0142 0.1518
Echinococcus multilocularis twitchin 0.0061 0.0009 0.0037
Echinococcus granulosus contactin 0.0092 0.0142 0.0568
Onchocerca volvulus 0.1468 0.6219 0.9249
Schistosoma mansoni growth factor receptor-bound protein 0.0072 0.0055 0.0586
Brugia malayi Immunoglobulin I-set domain containing protein 0.0092 0.0142 0.0142
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0092 0.0142 0.0142
Brugia malayi Protein kinase domain containing protein 0.0091 0.0142 0.0142
Brugia malayi TAR-binding protein 0.0076 0.0076 0.0076
Echinococcus multilocularis titin 0.0061 0.0009 0.0037
Loa Loa (eye worm) hypothetical protein 0.0072 0.0055 0.0055
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.006 0.0004 0.0004
Loa Loa (eye worm) TK/FER protein kinase 0.0091 0.0142 0.0142
Schistosoma mansoni tyrosine kinase 0.0091 0.0142 0.1511
Onchocerca volvulus 0.0091 0.0142 0.0211
Onchocerca volvulus 0.0061 0.0009 0.0014
Loa Loa (eye worm) hypothetical protein 0.0272 0.0938 0.0938
Echinococcus multilocularis leucine rich repeats and immunoglobulin 0.006 0.0004 0.0015
Echinococcus granulosus tyrosine protein kinase Fyn 0.0127 0.0298 0.1188
Schistosoma mansoni cell adhesion molecule 0.0092 0.0142 0.1518
Brugia malayi Immunoglobulin I-set domain containing protein 0.0099 0.0175 0.0175
Loa Loa (eye worm) hypothetical protein 0.0272 0.0938 0.0938
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0642 0.574
Loa Loa (eye worm) TK/KIN16 protein kinase 0.1654 0.7042 0.7044
Echinococcus granulosus neuroglian 0.0158 0.0437 0.1741
Brugia malayi Immunoglobulin I-set domain containing protein 0.0092 0.0142 0.0142
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0642 0.574
Echinococcus granulosus growth factor receptor bound protein 2 0.0072 0.0055 0.0219
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0642 0.574
Onchocerca volvulus Tyrosine kinase homolog 0.1582 0.6724 1
Schistosoma mansoni nephrin 0.0158 0.0437 0.4658
Loa Loa (eye worm) TK protein kinase 0.0114 0.0243 0.0243
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.1115 1
Loa Loa (eye worm) TK/ABL protein kinase 0.0091 0.0142 0.0142
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0092 0.0142 0.0142
Brugia malayi Protein kinase domain containing protein 0.0623 0.2491 0.2491
Brugia malayi hypothetical protein 0.0099 0.0175 0.0175
Brugia malayi protein unc-22 0.0061 0.0009 0.0009
Schistosoma mansoni serine/threonine protein kinase 0.0061 0.0009 0.0099
Echinococcus granulosus tyrosine protein kinase Blk 0.0091 0.0142 0.0565
Loa Loa (eye worm) hypothetical protein 0.1997 0.8554 0.8557
Echinococcus multilocularis leucine rich repeat serine:threonine protein 0.0623 0.2491 1
Schistosoma mansoni slit 0.006 0.0004 0.004
Brugia malayi Immunoglobulin I-set domain containing protein 0.1654 0.7042 0.7042
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0127 0.0298 0.3178
Brugia malayi Tyrosine-protein kinase abl-1 0.0127 0.0298 0.0298
Echinococcus multilocularis Immunoglobulin 0.0099 0.0175 0.0704
Schistosoma mansoni titin 0.0061 0.0009 0.0099
Loa Loa (eye worm) TK/ROR protein kinase 0.0114 0.0243 0.0243
Loa Loa (eye worm) hypothetical protein 0.0092 0.0142 0.0142
Loa Loa (eye worm) TK/FER protein kinase 0.0091 0.0142 0.0142
Echinococcus granulosus hemicentin 1 0.0092 0.0142 0.0568
Echinococcus multilocularis c src tyrosine kinase 0.0127 0.0298 0.1197
Onchocerca volvulus 0.0091 0.0142 0.0211
Loa Loa (eye worm) CAMK protein kinase 0.0061 0.0009 0.0009
Echinococcus granulosus roundabout 2 0.0092 0.0142 0.0568
Echinococcus granulosus tyrosine protein kinase ABL1 0.0091 0.0142 0.0565
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0131 0.0318 0.1266
Brugia malayi Immunoglobulin I-set domain containing protein 0.0114 0.0243 0.0243
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0076 0.0812
Schistosoma mansoni hypothetical protein 0.0272 0.0938 1
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0127 0.0298 0.1197
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0092 0.0142 0.0568
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0092 0.0142 0.0572
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0099 0.0175 0.1869
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0092 0.0142 0.0572
Schistosoma mansoni tyrosine kinase 0.0091 0.0142 0.1511
Loa Loa (eye worm) hypothetical protein 0.0099 0.0175 0.0175
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0072 0.0055 0.0055
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0114 0.0243 0.0969
Echinococcus granulosus tyrosine protein kinase Src64B 0.0127 0.0298 0.1188
Echinococcus granulosus tyrosine protein kinase Lyn 0.0129 0.0307 0.1225
Onchocerca volvulus Peroxidasin homolog 0.0065 0.0026 0.0039
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0642 0.574
Echinococcus granulosus titin 0.0061 0.0009 0.0037
Loa Loa (eye worm) hypothetical protein 0.0092 0.0142 0.0142
Echinococcus multilocularis roundabout 2 0.0092 0.0142 0.0572
Schistosoma mansoni adapter molecule crk 0.0072 0.0055 0.0586
Echinococcus multilocularis NCK adaptor protein 0.0072 0.0055 0.0221
Loa Loa (eye worm) hypothetical protein 0.0131 0.0318 0.0318
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0091 0.0142 0.0569
Loa Loa (eye worm) TK/FER protein kinase 0.0091 0.0142 0.0142
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.1115 0.1115
Echinococcus granulosus leucine rich repeat serine:threonine protein 0.0628 0.251 1
Brugia malayi RNA binding protein 0.0076 0.0076 0.0076
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0127 0.0298 0.1188
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0099 0.0175 0.1869
Brugia malayi Immunoglobulin I-set domain containing protein 0.0092 0.0142 0.0142
Echinococcus multilocularis Immunoglobulin 0.0099 0.0175 0.0704
Loa Loa (eye worm) hypothetical protein 0.019 0.0579 0.058
Brugia malayi Leucine Rich Repeat family protein 0.006 0.0004 0.0004
Echinococcus granulosus neuroglian 0.0092 0.0142 0.0568
Loa Loa (eye worm) TK/FER protein kinase 0.0091 0.0142 0.0142
Echinococcus granulosus tyrosine protein kinase Fyn 0.0127 0.0298 0.1188
Brugia malayi Prion-like- 0.0092 0.0142 0.0142
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0642 0.574
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0099 0.0175 0.0704
Loa Loa (eye worm) TK/FER protein kinase 0.0091 0.0142 0.0142
Brugia malayi Immunoglobulin I-set domain containing protein 0.0092 0.0142 0.0142
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.1115 1
Echinococcus granulosus lachesin 0.0092 0.0142 0.0568
Loa Loa (eye worm) hypothetical protein 0.0092 0.0142 0.0142
Brugia malayi Immunoglobulin I-set domain containing protein 0.0092 0.0142 0.0142
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0072 0.0055 0.0586
Echinococcus granulosus tyrosine kinase 0.0091 0.0142 0.0565
Echinococcus multilocularis growth factor receptor bound protein 2 0.0072 0.0055 0.0221
Brugia malayi Sex muscle abnormal protein 5 0.0072 0.0055 0.0055
Schistosoma mansoni tyrosine kinase 0.0127 0.0298 0.3178
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0127 0.0298 0.1197
Schistosoma mansoni roundabout 0.0092 0.0142 0.1518
Loa Loa (eye worm) hypothetical protein 0.0092 0.0142 0.0142
Loa Loa (eye worm) TK/FER protein kinase 0.0091 0.0142 0.0142
Loa Loa (eye worm) SRC-1 0.0127 0.0298 0.0298
Echinococcus granulosus twitchin 0.016 0.0446 0.1778
Loa Loa (eye worm) hypothetical protein 0.0092 0.0142 0.0142
Echinococcus multilocularis tyrosine protein kinase Abl 0.0127 0.0298 0.1197
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0092 0.0142 0.0572
Echinococcus granulosus NCK adaptor protein 0.0072 0.0055 0.0219
Loa Loa (eye worm) RNA binding protein 0.0076 0.0076 0.0076
Echinococcus granulosus MAM 0.0272 0.0938 0.3738
Onchocerca volvulus 0.006 0.0004 0.0006
Loa Loa (eye worm) TK/ALK protein kinase 0.2323 0.9997 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0092 0.0142 0.0142
Onchocerca volvulus 0.0272 0.0938 0.1395
Schistosoma mansoni tyrosine kinase 0.0147 0.0386 0.411
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0127 0.0298 0.1197
Brugia malayi Variant SH3 domain containing protein 0.0072 0.0055 0.0055
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0076 0.0812
Echinococcus granulosus tyrosine protein kinase Fyn 0.0127 0.0298 0.1188
Schistosoma mansoni nephrin 0.0092 0.0142 0.1518
Brugia malayi protein-tyrosine kinase 0.0091 0.0142 0.0142
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0092 0.0142 0.1518
Brugia malayi Peroxidasin 0.0092 0.0146 0.0146
Echinococcus multilocularis tyrosine kinase 0.0091 0.0142 0.0569
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0076 0.0812
Echinococcus granulosus tyrosine kinase 0.0091 0.0142 0.0565
Loa Loa (eye worm) hypothetical protein 0.0099 0.0175 0.0175
Schistosoma mansoni septate junction protein 0.0092 0.0142 0.1518
Echinococcus multilocularis peroxidasin 0.0092 0.0146 0.0587
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0076 0.0076
Schistosoma mansoni cell adhesion molecule 0.0131 0.0318 0.3387
Loa Loa (eye worm) TK/FER protein kinase 0.0091 0.0142 0.0142
Onchocerca volvulus 0.0272 0.0938 0.1395
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.1115 1
Echinococcus granulosus tyrosine protein kinase Srms 0.0091 0.0142 0.0565
Brugia malayi Immunoglobulin I-set domain containing protein 0.0092 0.0142 0.0142
Loa Loa (eye worm) TKL/LRRK protein kinase 0.0623 0.2491 0.2492
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0072 0.0055 0.0055
Schistosoma mansoni titin 0.0092 0.0142 0.1518
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0375 0.0375
Brugia malayi hypothetical protein 0.0272 0.0938 0.0938
Loa Loa (eye worm) hypothetical protein 0.01 0.0179 0.0179
Echinococcus granulosus leucine rich repeats and immunoglobulin 0.006 0.0004 0.0015
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0127 0.0298 0.1188
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0114 0.0243 0.0976
Onchocerca volvulus 0.0091 0.0142 0.0211
Loa Loa (eye worm) TK/FER protein kinase 0.0091 0.0142 0.0142
Echinococcus granulosus c src tyrosine kinase 0.0127 0.0298 0.1188
Brugia malayi Fibronectin type III domain containing protein 0.0099 0.0175 0.0175
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0076 0.0306
Echinococcus multilocularis tyrosine protein kinase otk 0.0092 0.0142 0.0572
Echinococcus multilocularis hemicentin 1 0.0092 0.0142 0.0572
Echinococcus multilocularis lachesin 0.0092 0.0142 0.0572
Schistosoma mansoni serine/threonine protein kinase 0.009 0.0138 0.1469
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0091 0.0142 0.0569
Schistosoma mansoni tyrosine kinase 0.0127 0.0298 0.3178
Loa Loa (eye worm) TK protein kinase 0.0091 0.0142 0.0142
Brugia malayi SH2 domain containing protein 0.0091 0.0142 0.0142
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.1115 0.1116
Schistosoma mansoni hypothetical protein 0.0272 0.0938 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.1115 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.0175 0.0175
Loa Loa (eye worm) hypothetical protein 0.0099 0.0175 0.0175
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.0642 0.0955
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0092 0.0142 0.0142
Echinococcus granulosus tyrosine protein kinase shark 0.0091 0.0142 0.0565
Brugia malayi hypothetical protein 0.0091 0.0142 0.0142
Echinococcus multilocularis tyrosine protein kinase Srms 0.0091 0.0142 0.0569
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0127 0.0298 0.1197
Schistosoma mansoni serine/threonine protein kinase 0.0061 0.0009 0.0099
Echinococcus multilocularis neuroglian 0.0092 0.0142 0.0572
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0091 0.0142 1
Echinococcus multilocularis hemicentin 1 0.0092 0.0142 0.0572
Onchocerca volvulus 0.0091 0.0142 0.0211
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0642 0.574
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0092 0.0142 0.0572
Loa Loa (eye worm) hypothetical protein 0.0092 0.0146 0.0146
Echinococcus multilocularis roundabout 2 0.0092 0.0142 0.0572
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.1115 1
Schistosoma mansoni neuroglian 0.0092 0.0142 0.1518
Echinococcus granulosus titin 0.0061 0.0009 0.0037
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0092 0.0142 0.0572
Onchocerca volvulus 0.0091 0.0142 0.0211
Brugia malayi SH2 domain containing protein 0.0091 0.0142 0.0142
Echinococcus granulosus roundabout 2 0.019 0.0579 0.2308
Loa Loa (eye worm) TK/FER protein kinase 0.0091 0.0142 0.0142
Echinococcus multilocularis tyrosine protein kinase shark 0.0091 0.0142 0.0569
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.1115 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0092 0.0142 0.0142
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0092 0.0142 0.1518
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0091 0.0142 0.0565
Brugia malayi MH2 domain containing protein 0.0144 0.0375 0.0375
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0091 0.0142 0.0565
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0076 0.0076
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0127 0.0298 0.1197
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0076 0.0812
Brugia malayi Immunoglobulin I-set domain containing protein 0.0092 0.0142 0.0142
Echinococcus granulosus tyrosine protein kinase otk 0.0092 0.0142 0.0568
Echinococcus granulosus Immunoglobulin 0.0099 0.0175 0.0699
Schistosoma mansoni nck2/grb4 0.0072 0.0055 0.0586
Echinococcus granulosus defective proboscis extension response 0.0099 0.0175 0.0699
Brugia malayi Protein kinase domain containing protein 0.0091 0.0142 0.0142
Echinococcus granulosus roundabout 2 0.0092 0.0142 0.0568
Loa Loa (eye worm) hypothetical protein 0.0091 0.0142 0.0142
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0127 0.0298 0.1197
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0076 0.0812
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0094 0.0152 0.0152
Echinococcus granulosus tyrosine protein kinase Src42A 0.0127 0.0298 0.1188
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0061 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0092 0.0142 0.0142
Schistosoma mansoni septate junction protein 0.0092 0.0142 0.1518
Brugia malayi Protein kinase domain containing protein 0.0091 0.0142 0.0142
Loa Loa (eye worm) hypothetical protein 0.0092 0.0142 0.0142
Loa Loa (eye worm) TK/FER protein kinase 0.0091 0.0142 0.0142
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0091 0.0142 0.0569
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.0691 0.6178
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0375 0.0375
Schistosoma mansoni cell adhesion molecule 0.0092 0.0142 0.1518
Onchocerca volvulus 0.0091 0.0142 0.0211
Brugia malayi Immunoglobulin I-set domain containing protein 0.006 0.0004 0.0004
Brugia malayi SRC-1 0.0127 0.0298 0.0298
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0127 0.0298 0.1197

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.9285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 2.8184 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) 7.0795 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 20.5878 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) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Saccharomyces cerevisiae ChEMBL23
Plasmodium falciparum ChEMBL23

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.

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