Detailed information for compound 1435809

Basic information

Technical information
  • TDR Targets ID: 1435809
  • Name: [3-(dimethylsulfamoyl)phenyl]methyl 2-(2-chlo ro-6-fluorophenyl)acetate
  • MW: 385.838 | Formula: C17H17ClFNO4S
  • H donors: 0 H acceptors: 3 LogP: 3.08 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1c(F)cccc1Cl)OCc1cccc(c1)S(=O)(=O)N(C)C
  • InChi: 1S/C17H17ClFNO4S/c1-20(2)25(22,23)13-6-3-5-12(9-13)11-24-17(21)10-14-15(18)7-4-8-16(14)19/h3-9H,10-11H2,1-2H3
  • InChiKey: XCNRAKDTHOFZRL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [3-(dimethylsulfamoyl)phenyl]methyl 2-(2-chloro-6-fluoro-phenyl)acetate
  • 2-(2-chloro-6-fluorophenyl)acetic acid [3-(dimethylsulfamoyl)phenyl]methyl ester
  • 2-(2-chloro-6-fluoro-phenyl)acetic acid [3-(dimethylsulfamoyl)benzyl] ester
  • [3-(dimethylsulfamoyl)phenyl]methyl 2-(2-chloro-6-fluoro-phenyl)ethanoate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi RNA recognition motif 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 japonicum TAR DNA-binding protein 43, putative 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 japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis 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
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
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) RNA recognition domain-containing protein 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi RNA binding protein 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
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
Toxoplasma gondii FATC domain-containing protein 0.0394 0.1203 0.3782
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0209 0.0313 0.0722
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0209 0.0313 0.0722
Loa Loa (eye worm) hypothetical protein 0.0437 0.1409 0.2856
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0875 0.3512 0.3504
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0336 0.0923 0.2187
Loa Loa (eye worm) hypothetical protein 0.0328 0.0885 0.1794
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0394 0.1203 0.2858
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0548 0.194 0.194
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0394 0.1203 0.1203
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0875 0.3512 0.84
Trichomonas vaginalis PIKK family atypical protein kinase 0.0801 0.3161 0.7556
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.1298 0.5546 0.5541
Trichomonas vaginalis PIKK family atypical protein kinase 0.0801 0.3161 0.7556
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0147 0.0012 0.0012
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0531 0.186 0.185
Trichomonas vaginalis PIKK family atypical protein kinase 0.0511 0.1763 0.4202
Trichomonas vaginalis PIKK family atypical protein kinase 0.0743 0.2881 0.6885
Trichomonas vaginalis PIKK family atypical protein kinase 0.0685 0.26 0.6212
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.2224 1 1
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0209 0.0313 0.086
Loa Loa (eye worm) phosphatidylinositol 3 0.019 0.0218 0.0442
Loa Loa (eye worm) hypothetical protein 0.0248 0.0498 0.1009
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0623 0.2302 0.6543
Trichomonas vaginalis PIKK family atypical protein kinase 0.0743 0.2881 0.6885
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0209 0.0313 0.0301
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0395 0.1208 0.1198
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.075 0.2913 0.6961
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0336 0.0923 0.0923
Loa Loa (eye worm) phosphatidylinositol kinase 0.0147 0.0012 0.0024
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0147 0.0012 0.0012
Trichomonas vaginalis PIKK family atypical protein kinase 0.0723 0.2782 0.6646
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1013 0.4179 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.0012 0.0024
Leishmania major hypothetical protein, conserved 0.0235 0.0436 0.1018
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0394 0.1203 0.1203
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0875 0.3512 0.3504
Loa Loa (eye worm) hypothetical protein 0.0219 0.036 0.0729
Loa Loa (eye worm) phosphatidylinositol 3 0.0147 0.0012 0.0024
Trichomonas vaginalis conserved hypothetical protein 0.0437 0.1409 0.3354
Trichomonas vaginalis PIKK family atypical protein kinase 0.0875 0.3512 0.84
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.019 0.0218 0.0207
Trichomonas vaginalis PIKK family atypical protein kinase 0.0248 0.0498 0.1166
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.075 0.2913 0.6961
Leishmania major phosphatidylinositol 3-kinase, putative 0.0209 0.0313 0.0722
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0209 0.0313 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0816 0.3232 0.7726
Mycobacterium leprae conserved hypothetical protein 0.0147 0.0012 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0816 0.3232 0.7726
Trichomonas vaginalis PIKK family atypical protein kinase 0.0816 0.3232 0.7726
Trichomonas vaginalis PIKK family atypical protein kinase 0.0758 0.2952 0.7055
Loa Loa (eye worm) phosphatidylinositol 3 0.1013 0.4179 0.8468
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0875 0.3512 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0685 0.26 0.6212
Echinococcus granulosus serine protein kinase ATM 0.0394 0.1203 0.1192
Trichomonas vaginalis PIKK family atypical protein kinase 0.0394 0.1203 0.2858
Trichomonas vaginalis PIKK family atypical protein kinase 0.0569 0.204 0.4868
Schistosoma mansoni fkbp-rapamycin associated protein 0.0394 0.1203 0.1192
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1013 0.4179 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1013 0.4179 1
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0291 0.0704 0.0693
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0209 0.0313 0.0301
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0336 0.0923 0.2187
Echinococcus multilocularis serine protein kinase ATM 0.0394 0.1203 0.1192
Loa Loa (eye worm) phosphatidylinositol 3 0.0147 0.0012 0.0024
Entamoeba histolytica hypothetical protein 0.0623 0.2302 0.6543
Trichomonas vaginalis PIKK family atypical protein kinase 0.0685 0.26 0.6212
Loa Loa (eye worm) phosphatidylinositol 3 0.1171 0.4935 1
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0428 0.1366 0.3869
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0816 0.3233 0.7729
Trichomonas vaginalis PIKK family atypical protein kinase 0.0816 0.3232 0.7726
Trichomonas vaginalis PIKK family atypical protein kinase 0.0511 0.1763 0.4202
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0875 0.3512 0.3512
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0404 0.1249 0.3534
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0875 0.3512 0.3504
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0209 0.0313 0.0722
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0875 0.3512 0.3504
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0336 0.0923 0.0913
Trichomonas vaginalis PIKK family atypical protein kinase 0.0875 0.3512 0.84
Trichomonas vaginalis PIKK family atypical protein kinase 0.0511 0.1763 0.4202
Trichomonas vaginalis PIKK family atypical protein kinase 0.0801 0.3161 0.7556
Entamoeba histolytica protein kinase rad3, putative 0.0394 0.1203 0.3403
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0496 0.169 0.4027
Trichomonas vaginalis conserved hypothetical protein 0.0291 0.0704 0.1661
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0394 0.1203 0.1192
Trichomonas vaginalis PIKK family atypical protein kinase 0.0875 0.3512 0.84
Trichomonas vaginalis PIKK family atypical protein kinase 0.0526 0.1834 0.4372
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0394 0.1203 0.1192
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0875 0.3512 0.3504
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0209 0.0313 0.0301
Trichomonas vaginalis PIKK family atypical protein kinase 0.0816 0.3232 0.7726
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0395 0.1208 0.1198
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0209 0.0313 0.0301
Trichomonas vaginalis PIKK family atypical protein kinase 0.0394 0.1203 0.2858
Trichomonas vaginalis PIKK family atypical protein kinase 0.0801 0.3161 0.7556
Entamoeba histolytica hypothetical protein 0.0394 0.1203 0.3403
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0336 0.0923 0.2187
Trichomonas vaginalis conserved hypothetical protein 0.0248 0.0498 0.1166
Onchocerca volvulus 0.0147 0.0012 0.5
Toxoplasma gondii target of rapamycin (TOR), putative 0.0801 0.3161 1
Brugia malayi FAT domain containing protein 0.0291 0.0704 0.0704
Loa Loa (eye worm) hypothetical protein 0.0531 0.186 0.3768
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0274 0.0622 0.1744
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0875 0.3512 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.075 0.2913 0.8288
Trypanosoma cruzi target of rapamycin kinase 3 0.0816 0.3233 0.3225
Trichomonas vaginalis PIKK family atypical protein kinase 0.0743 0.288 0.6883
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.075 0.2913 0.2904
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0685 0.26 0.6212
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2224 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0336 0.0923 0.2604
Loa Loa (eye worm) hypothetical protein 0.0291 0.0704 0.1427
Mycobacterium tuberculosis Conserved hypothetical protein 0.0147 0.0012 0.5
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0394 0.1203 0.1192
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.075 0.2913 0.6961
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0209 0.0313 0.0301
Loa Loa (eye worm) hypothetical protein 0.0328 0.0885 0.1794
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.075 0.2913 0.2904
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.075 0.2913 0.2913
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0531 0.186 0.185
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2224 1 1
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0723 0.2782 0.7913
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0209 0.0313 0.0956
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0555 0.1977 0.4715
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0875 0.3512 0.84
Trichomonas vaginalis PIKK family atypical protein kinase 0.0743 0.2881 0.6885
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0336 0.0923 0.2604
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0209 0.0313 0.086
Loa Loa (eye worm) phosphatidylinositol 3 0.0147 0.0012 0.0024
Trichomonas vaginalis PIKK family atypical protein kinase 0.0685 0.26 0.6212
Loa Loa (eye worm) hypothetical protein 0.0394 0.1203 0.2437
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0816 0.3233 0.7729
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0394 0.1203 0.1192
Leishmania major phosphatidylinositol 3-kinase, putative 0.0685 0.26 0.6212
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0209 0.0313 0.0301
Trichomonas vaginalis PIKK family atypical protein kinase 0.0801 0.3161 0.7556
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.2224 1 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0248 0.0498 0.0486
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.1298 0.5546 0.5541
Trichomonas vaginalis PIKK family atypical protein kinase 0.0584 0.2115 0.5046
Trichomonas vaginalis PIKK family atypical protein kinase 0.0743 0.2881 0.6885
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0291 0.0704 0.0693
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0336 0.0923 0.2187
Loa Loa (eye worm) phosphatidylinositol 3 0.0147 0.0012 0.0024
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0336 0.0923 0.0913
Trichomonas vaginalis PIKK family atypical protein kinase 0.0758 0.2952 0.7055
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0209 0.0313 0.0301
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0875 0.3512 0.84
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0209 0.0313 0.0634
Giardia lamblia GTOR 0.0875 0.3512 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0209 0.0313 0.0722
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0209 0.0313 0.0956
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.1298 0.5546 0.5541
Echinococcus multilocularis Zinc finger, PHD finger 0.0209 0.0313 0.0301
Trichomonas vaginalis PIKK family atypical protein kinase 0.0743 0.288 0.6883
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0209 0.0313 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0801 0.3161 0.7556
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0209 0.0313 0.0722
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0875 0.3512 0.84
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0263 0.0572 0.1344
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0437 0.1409 0.4438
Trichomonas vaginalis PIKK family atypical protein kinase 0.0743 0.288 0.6883
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0531 0.186 0.186
Trichomonas vaginalis PIKK family atypical protein kinase 0.0801 0.3161 0.7556
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0394 0.1203 0.1192
Loa Loa (eye worm) phosphatidylinositol 3 0.0875 0.3512 0.7116
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0209 0.0313 0.0313
Schistosoma mansoni hypothetical protein 0.0291 0.0704 0.0693
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.2224 1 1
Onchocerca volvulus 0.0147 0.0012 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0147 0.0012 0.0012
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0603 0.2208 0.6273
Trichomonas vaginalis PIKK family atypical protein kinase 0.0205 0.0291 0.0671
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0555 0.1977 0.4715

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 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) 8.9125 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) = 14.1254 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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) = 112.2018 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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