Detailed information for compound 1282657

Basic information

Technical information
  • TDR Targets ID: 1282657
  • Name: 3-chloro-1-(4-methoxyphenyl)-4-pyrrolidin-1-y lpyrrole-2,5-dione
  • MW: 306.744 | Formula: C15H15ClN2O3
  • H donors: 0 H acceptors: 2 LogP: 2.67 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N1C(=O)C(=C(C1=O)N1CCCC1)Cl
  • InChi: 1S/C15H15ClN2O3/c1-21-11-6-4-10(5-7-11)18-14(19)12(16)13(15(18)20)17-8-2-3-9-17/h4-7H,2-3,8-9H2,1H3
  • InChiKey: TUFXUWGJIKETCF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-chloro-1-(4-methoxyphenyl)-4-pyrrolidin-1-yl-pyrrole-2,5-dione
  • 3-chloro-1-(4-methoxyphenyl)-4-1-pyrrolidinylpyrrole-2,5-dione
  • 3-chloro-1-(4-methoxyphenyl)-4-pyrrolidin-1-yl-3-pyrroline-2,5-quinone
  • ST5201762
  • 4'-Chloro-1'-(4-methoxy-phenyl)-2,3,4,5-tetrahydro-[1,3']bipyrrolyl-2',5'-dione
  • MLS000076018
  • SMR000014937
  • BAS 08759923
  • ZINC00149393

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis PIKK family atypical protein kinase 0.0057 0.0226 0.1294
Loa Loa (eye worm) hypothetical protein 0.016 0.0924 0.1059
Loa Loa (eye worm) hypothetical protein 0.005 0.0181 0.0207
Echinococcus granulosus muscleblind protein 0.018 0.1063 0.1339
Echinococcus granulosus fatty acid binding protein, adipocyte 0.0159 0.0916 0.1153
Entamoeba histolytica hypothetical protein 0.0064 0.027 1
Mycobacterium tuberculosis Probable lipase LipE 0.0234 0.1429 0.093
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0127 0.0574
Loa Loa (eye worm) hypothetical protein 0.018 0.1063 0.1218
Loa Loa (eye worm) MH2 domain-containing protein 0.0026 0.0018 0.002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.007 0.0164
Trypanosoma cruzi hypothetical protein, conserved 0.0234 0.1429 1
Mycobacterium tuberculosis Probable hydrolase 0.0234 0.1429 0.093
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0213 0.1286 0.1474
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.015 0.0859 0.1081
Schistosoma mansoni hypothetical protein 0.0064 0.027 0.0461
Loa Loa (eye worm) hypothetical protein 0.0177 0.1043 0.1195
Echinococcus multilocularis mothers against decapentaplegic 5 0.0026 0.0018 0.0022
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0057 0.0226 0.0617
Loa Loa (eye worm) hypothetical protein 0.0234 0.1429 0.1637
Trichomonas vaginalis PIKK family atypical protein kinase 0.0057 0.0226 0.1294
Mycobacterium tuberculosis Conserved protein 0.0234 0.1429 0.093
Loa Loa (eye worm) hypothetical protein 0.0048 0.0167 0.0191
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.5496 1
Brugia malayi Probable ClpP-like protease 0.016 0.0924 0.1041
Echinococcus granulosus Smad4 0.0026 0.0018 0.0022
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.016 0.0924 0.6123
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0048 0.0002
Echinococcus multilocularis fatty acid binding protein FABP2 0.0321 0.202 0.2544
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0048 0.0002
Loa Loa (eye worm) intermediate filament protein 0.0049 0.0173 0.0198
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0234 0.1429 0.1637
Schistosoma mansoni hypothetical protein 0.015 0.0859 0.1535
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0127 0.0574
Schistosoma mansoni fatty acid binding protein 0.0321 0.202 0.3656
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0064 0.027 0.034
Echinococcus multilocularis integrin alpha ps 0.0105 0.0552 0.0696
Mycobacterium tuberculosis Probable esterase LipL 0.0234 0.1429 0.093
Loa Loa (eye worm) hypothetical protein 0.0184 0.1089 0.1247
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.017 0.0883
Brugia malayi beta-lactamase family protein 0.0234 0.1429 0.162
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0057 0.0226 0.0285
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.015 0.0859 0.1081
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0147 0.0719
Entamoeba histolytica hypothetical protein 0.0064 0.027 1
Echinococcus multilocularis muscleblind protein 1 0.018 0.1063 0.1339
Schistosoma mansoni hypothetical protein 0.0067 0.0297 0.0509
Entamoeba histolytica hypothetical protein 0.0064 0.027 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0213 0.1286 0.1456
Trichomonas vaginalis penicillin-binding protein, putative 0.0234 0.1429 1
Echinococcus granulosus lamin dm0 0.0049 0.0173 0.0218
Loa Loa (eye worm) hypothetical protein 0.0055 0.021 0.0241
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.016 0.0924 1
Brugia malayi beta-lactamase 0.0234 0.1429 0.162
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0057 0.0226 0.0617
Echinococcus granulosus lamin 0.0049 0.0173 0.0218
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0048 0.0002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0147 0.0719
Loa Loa (eye worm) hypothetical protein 0.018 0.1063 0.1218
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0147 0.0719
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0127 0.0574
Loa Loa (eye worm) MH1 domain-containing protein 0.0026 0.0018 0.002
Loa Loa (eye worm) phosphatidylinositol 3 0.0057 0.0226 0.0259
Schistosoma mansoni hypothetical protein 0.0146 0.0828 0.148
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0234 0.1429 1
Echinococcus multilocularis fatty acid binding protein FABP2 0.0321 0.202 0.2544
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.016 0.0924 0.5
Schistosoma mansoni thyroid hormone receptor 0.0162 0.0941 0.1685
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.009 0.0309
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0177 0.1043 0.1177
Echinococcus multilocularis lamin dm0 0.0049 0.0173 0.0218
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.016 0.0924 0.6123
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0067 0.0297 0.0373
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0234 0.1429 0.093
Schistosoma mansoni peptidase Clp (S14 family) 0.016 0.0924 0.1655
Schistosoma mansoni fatty acid binding protein 0.0321 0.202 0.3656
Loa Loa (eye worm) Smad1 0.0026 0.0018 0.002
Loa Loa (eye worm) hypothetical protein 0.0234 0.1429 0.1637
Brugia malayi latrophilin 2 splice variant baaae 0.0146 0.0828 0.0931
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0234 0.1429 0.093
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.016 0.0924 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0049 0.0173 0.0179
Echinococcus granulosus intermediate filament protein 0.0049 0.0173 0.0218
Echinococcus granulosus fatty acid binding protein FABP2 0.0321 0.202 0.2544
Echinococcus multilocularis GPCR, family 2 0.0067 0.0297 0.0373
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0127 0.0574
Onchocerca volvulus 0.0175 0.1024 0.6778
Loa Loa (eye worm) hypothetical protein 0.0129 0.0717 0.0821
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0234 0.1429 0.2576
Echinococcus multilocularis integrin alpha ps 0.005 0.0181 0.0227
Echinococcus multilocularis muscleblind protein 0.018 0.1063 0.1339
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0057 0.0226 0.1453
Echinococcus multilocularis Smad4 0.0026 0.0018 0.0022
Loa Loa (eye worm) hypothetical protein 0.0175 0.1024 0.1173
Echinococcus multilocularis beta LACTamase domain containing family member 0.0234 0.1429 0.18
Trichomonas vaginalis esterase, putative 0.0234 0.1429 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0057 0.0226 0.0381
Loa Loa (eye worm) hypothetical protein 0.0146 0.0828 0.0949
Brugia malayi Latrophilin receptor protein 2 0.0067 0.0297 0.032
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0057 0.0226 0.024
Trichomonas vaginalis PIKK family atypical protein kinase 0.0057 0.0226 0.1294
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0067 0.0297 0.0373
Echinococcus multilocularis fatty acid binding protein FABP2 0.0159 0.0916 0.1153
Loa Loa (eye worm) latrophilin receptor protein 2 0.0067 0.0297 0.034
Loa Loa (eye worm) integrin alpha pat-2 0.0362 0.2293 0.2627
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.007 0.0164
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0147 0.0719
Echinococcus multilocularis integrin alpha ps 0.0105 0.0552 0.0696
Brugia malayi Integrin alpha pat-2 precursor 0.0235 0.1431 0.1622
Schistosoma mansoni intermediate filament proteins 0.0049 0.0173 0.0284
Loa Loa (eye worm) transcription factor SMAD2 0.0387 0.2467 0.2826
Mycobacterium tuberculosis Conserved protein 0.0234 0.1429 0.093
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0048 0.0002
Schistosoma mansoni transcription factor LCR-F1 0.0064 0.027 0.0461
Schistosoma mansoni hypothetical protein 0.0067 0.0297 0.0509
Echinococcus granulosus integrin alpha 3 0.018 0.1059 0.1334
Onchocerca volvulus 0.0234 0.1429 1
Loa Loa (eye worm) hypothetical protein 0.0234 0.1429 0.1637
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.016 0.0924 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0057 0.0226 0.1453
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0147 0.0719
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0067 0.0297 0.0373
Schistosoma mansoni lamin 0.0049 0.0173 0.0284
Echinococcus granulosus integrin alpha ps 0.0105 0.0552 0.0696
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0068 0.0147
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0026 0.0018 0.0022
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0127 0.0574
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.007 0.0164
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.016 0.0924 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0127 0.0574
Trichomonas vaginalis D-aminoacylase, putative 0.0234 0.1429 1
Schistosoma mansoni hypothetical protein 0.005 0.0181 0.0298
Echinococcus granulosus integrin alpha ps 0.005 0.0181 0.0227
Echinococcus multilocularis smad 0.0026 0.0018 0.0022
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0234 0.1429 0.162
Echinococcus granulosus fatty acid binding protein FABP2 0.0321 0.202 0.2544
Brugia malayi intermediate filament protein 0.0049 0.0173 0.0179
Brugia malayi MH2 domain containing protein 0.0387 0.2467 0.2811
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.016 0.0924 0.585
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0067 0.0297 0.032
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0105 0.055 0.2775
Echinococcus multilocularis peptidase Clp (S14 family) 0.0105 0.055 0.0693
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0057 0.0226 0.0617
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0026 0.0018 0.002
Mycobacterium leprae conserved hypothetical protein 0.0234 0.1429 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0026 0.0018 0.0022
Echinococcus multilocularis lamin 0.0049 0.0173 0.0218
Echinococcus multilocularis tumor protein p63 0.1193 0.7941 1
Loa Loa (eye worm) lipocalin/cytosolic fatty-acid binding protein family protein 0.131 0.8729 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0387 0.2467 0.2826
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0234 0.1429 0.093
Brugia malayi beta-lactamase family protein 0.0234 0.1429 0.162
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.016 0.0924 0.1164
Trichomonas vaginalis D-aminoacylase, putative 0.0234 0.1429 1
Echinococcus granulosus tumor protein p63 0.1193 0.7941 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0162 0.0941 0.1184
Loa Loa (eye worm) hypothetical protein 0.0049 0.0173 0.0198
Mycobacterium ulcerans esterase/lipase LipP 0.0234 0.1429 1
Onchocerca volvulus 0.0234 0.1429 1
Toxoplasma gondii hypothetical protein 0.0055 0.0213 0.0658
Mycobacterium ulcerans hypothetical protein 0.0234 0.1429 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.016 0.0924 0.1164
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0127 0.0574
Schistosoma mansoni thyroid hormone receptor 0.0162 0.0941 0.1685
Trichomonas vaginalis D-aminoacylase, putative 0.0234 0.1429 1
Mycobacterium tuberculosis Conserved protein 0.0234 0.1429 0.093
Echinococcus granulosus microtubule associated protein 2 0.0833 0.5496 0.6921
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0099 0.037
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0045 0.0147 0.0891
Echinococcus multilocularis integrin alpha 3 0.018 0.1059 0.1334
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.016 0.0924 0.585
Loa Loa (eye worm) beta-lactamase 0.0234 0.1429 0.1637
Schistosoma mansoni cellular tumor antigen P53 0.0175 0.1024 0.1838
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0049 0.0173 0.0198
Echinococcus granulosus peptidase Clp S14 family 0.0105 0.055 0.0693
Trypanosoma brucei hypothetical protein, conserved 0.0234 0.1429 1
Schistosoma mansoni integrin alpha-ps 0.0105 0.0552 0.0976
Trichomonas vaginalis penicillin-binding protein, putative 0.0234 0.1429 1
Echinococcus granulosus GPCR family 2 0.0067 0.0297 0.0373
Echinococcus granulosus fatty acid binding protein FABP2 0.0159 0.0916 0.1153
Loa Loa (eye worm) hypothetical protein 0.0067 0.0297 0.034
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0068 0.0147
Schistosoma mansoni integrin alpha-ps 0.0055 0.021 0.0352
Schistosoma mansoni hypothetical protein 0.0067 0.0297 0.0509
Brugia malayi Muscleblind-like protein 0.018 0.1063 0.12
Brugia malayi Calcitonin receptor-like protein seb-1 0.0213 0.1286 0.1456
Mycobacterium tuberculosis Probable lipase LipD 0.0234 0.1429 0.093
Echinococcus granulosus smad 0.0026 0.0018 0.0022
Mycobacterium ulcerans lipase LipD 0.0234 0.1429 1
Plasmodium vivax hypothetical protein, conserved 0.0234 0.1429 1
Toxoplasma gondii ABC1 family protein 0.0234 0.1429 1
Schistosoma mansoni hypothetical protein 0.0067 0.0297 0.0509
Schistosoma mansoni lamin 0.0049 0.0173 0.0284
Brugia malayi hypothetical protein 0.0064 0.027 0.029
Giardia lamblia GTOR 0.0057 0.0226 0.5
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.5496 0.6921
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0067 0.0297 0.0373
Entamoeba histolytica hypothetical protein 0.0064 0.027 1
Loa Loa (eye worm) hypothetical protein 0.0234 0.1429 0.1637
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0064 0.027 0.034
Echinococcus granulosus mothers against decapentaplegic 5 0.0026 0.0018 0.0022
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0234 0.1429 0.2576
Echinococcus granulosus beta LACTamase domain containing family member 0.0234 0.1429 0.18
Mycobacterium ulcerans beta-lactamase 0.0234 0.1429 1
Leishmania major hypothetical protein, conserved 0.0234 0.1429 1
Brugia malayi Lipocalin / cytosolic fatty-acid binding protein family protein 0.131 0.8729 1
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0057 0.0226 0.0617
Trypanosoma cruzi hypothetical protein, conserved 0.0234 0.1429 1
Schistosoma mansoni integrin alpha 0.0235 0.1431 0.258
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0057 0.0226 0.0285
Echinococcus multilocularis musashi 0.0049 0.0173 0.0218
Loa Loa (eye worm) hypothetical protein 0.0234 0.1429 0.1637
Onchocerca volvulus 0.0234 0.1429 1
Loa Loa (eye worm) hypothetical protein 0.0234 0.1429 0.1637
Loa Loa (eye worm) hypothetical protein 0.0213 0.1286 0.1474
Mycobacterium leprae Probable lipase LipE 0.0234 0.1429 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.1475 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) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 14.1254 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 19.9526 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 50.1187 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) 70.7946 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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