Detailed information for compound 1455224

Basic information

Technical information
  • TDR Targets ID: 1455224
  • Name: 2-(4-chloro-2-nitrophenoxy)-N-[(4-methoxyphen yl)-phenylmethyl]acetamide
  • MW: 426.85 | Formula: C22H19ClN2O5
  • H donors: 1 H acceptors: 3 LogP: 4.86 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(c1ccccc1)NC(=O)COc1ccc(cc1[N+](=O)[O-])Cl
  • InChi: 1S/C22H19ClN2O5/c1-29-18-10-7-16(8-11-18)22(15-5-3-2-4-6-15)24-21(26)14-30-20-12-9-17(23)13-19(20)25(27)28/h2-13,22H,14H2,1H3,(H,24,26)
  • InChiKey: SSKPVHDAFRKUQR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(4-chloro-2-nitro-phenoxy)-N-[(4-methoxyphenyl)-phenyl-methyl]acetamide
  • 2-(4-chloro-2-nitro-phenoxy)-N-[(4-methoxyphenyl)-phenyl-methyl]ethanamide
  • 2-(4-chloro-2-nitrophenoxy)-N-[(4-methoxyphenyl)(phenyl)methyl]acetamide
  • MLS000581776
  • SMR000200302

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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 GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
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 dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
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
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
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 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi hypothetical protein 0.0018 0.0083 0.0237
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0308 0.4553
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0066 0.0066
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.049 0.1516
Brugia malayi MH1 domain containing protein 0.0018 0.009 0.0259
Loa Loa (eye worm) hypothetical protein 0.0011 0.0008 0.0024
Onchocerca volvulus Alhambra homolog 0.0035 0.0298 1
Schistosoma mansoni tar DNA-binding protein 0.0273 0.3188 0.3183
Schistosoma mansoni hypothetical protein 0.0012 0.0018 0.001
Echinococcus granulosus tar DNA binding protein 0.0273 0.3188 0.3188
Loa Loa (eye worm) hypothetical protein 0.0035 0.0294 0.0921
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0298 0.4388
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.0412 0.1291
Schistosoma mansoni tar DNA-binding protein 0.0273 0.3188 0.3183
Loa Loa (eye worm) transcription factor SMAD2 0.0266 0.3105 0.9738
Echinococcus granulosus cpg binding protein 0.0037 0.0315 0.0315
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0033 0.0105
Schistosoma mansoni hypothetical protein 0.0016 0.0066 0.0058
Schistosoma mansoni hypothetical protein 0.0035 0.0298 0.029
Loa Loa (eye worm) hypothetical protein 0.0051 0.049 0.1537
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.0262 0.5
Loa Loa (eye worm) Smad1 0.0018 0.009 0.0282
Echinococcus multilocularis peregrin 0.0035 0.0298 0.0298
Brugia malayi MH2 domain containing protein 0.0266 0.3105 0.9737
Schistosoma mansoni hypothetical protein 0.0016 0.0066 0.0058
Echinococcus multilocularis Smad4 0.0018 0.009 0.009
Schistosoma mansoni tar DNA-binding protein 0.0273 0.3188 0.3183
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0308 0.5
Echinococcus multilocularis cpg binding protein 0.0037 0.0315 0.0315
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0541 0.0541
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0273 0.3188 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0308 1
Echinococcus multilocularis phd:f box containing protein 0.0011 0.0008 0.0008
Brugia malayi AF-10 protein 0.0012 0.0009 0.0005
Echinococcus multilocularis muscleblind protein 0.0146 0.1645 0.1645
Echinococcus multilocularis muscleblind protein 1 0.0146 0.1645 0.1645
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.0412 0.0412
Schistosoma mansoni hypothetical protein 0.0016 0.0066 0.0058
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.02 0.6401
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.049 0.1537
Brugia malayi jmjC domain containing protein 0.0115 0.1271 0.3973
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0066 0.0066
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0018 0.009 0.0082
Echinococcus granulosus GPCR family 2 0.0016 0.0066 0.0066
Brugia malayi TAR-binding protein 0.0273 0.3188 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0298 0.4388
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0465 0.0465
Loa Loa (eye worm) hypothetical protein 0.0011 0.0008 0.0024
Echinococcus multilocularis GPCR, family 2 0.0016 0.0066 0.0066
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0541 0.0534
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0308 1
Giardia lamblia PHD finger protein 15 0.0035 0.0298 0.5
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0308 0.5
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0298 1
Schistosoma mansoni inositol monophosphatase 0.0036 0.0308 0.0301
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0541 0.1677
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0298 0.029
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0297 0.0297
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0541 0.0541
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.5874 0.5874
Brugia malayi RNA binding protein 0.0273 0.3188 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0308 0.5
Brugia malayi MH1 domain containing protein 0.0018 0.009 0.0259
Echinococcus granulosus mothers against decapentaplegic 5 0.0018 0.009 0.009
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0541 0.0541
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0668 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.0291 0.0891
Loa Loa (eye worm) hypothetical protein 0.0035 0.0298 0.0933
Brugia malayi Bromodomain containing protein 0.0035 0.0298 0.0911
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0066 0.0206
Echinococcus granulosus lysine specific demethylase 6a 0.0011 0.0008 0.0008
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0388 0.0388
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0412 0.0404
Brugia malayi PHD-finger family protein 0.0035 0.0298 0.0911
Loa Loa (eye worm) jmjC domain-containing protein 0.0011 0.0008 0.0024
Loa Loa (eye worm) MH2 domain-containing protein 0.0018 0.009 0.0282
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0297 0.029
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0308 0.5
Schistosoma mansoni smad1 5 8 and 0.0018 0.009 0.0082
Loa Loa (eye worm) hypothetical protein 0.0016 0.0066 0.0206
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.02 0.6642
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0018 0.0018
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0012 0.0009 0.0026
Echinococcus granulosus peregrin 0.0035 0.0298 0.0298
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0308 0.0308
Loa Loa (eye worm) hypothetical protein 0.0027 0.02 0.0628
Plasmodium falciparum phd finger protein, putative 0.0035 0.0298 1
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0294 0.0899
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0012 0.0009 0.0058
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0013 0.0032 0.0032
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0066 0.0066
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0983 0.0976
Brugia malayi Muscleblind-like protein 0.0146 0.1645 0.5147
Plasmodium vivax hypothetical protein, conserved 0.0014 0.0035 0.0947
Echinococcus granulosus muscleblind protein 0.0146 0.1645 0.1645
Loa Loa (eye worm) TAR-binding protein 0.0273 0.3188 1
Loa Loa (eye worm) hypothetical protein 0.0146 0.1645 0.5159
Loa Loa (eye worm) inositol-1 0.0036 0.0308 0.0968
Schistosoma mansoni hypothetical protein 0.0035 0.0294 0.0286
Brugia malayi PHD-finger family protein 0.0013 0.0033 0.0081
Schistosoma mansoni hypothetical protein 0.0016 0.0066 0.0058
Schistosoma mansoni tar DNA-binding protein 0.0273 0.3188 0.3183
Brugia malayi jmjC domain containing protein 0.0045 0.0412 0.127
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0465 0.0465
Echinococcus granulosus smad 0.0018 0.009 0.009
Brugia malayi Inositol-1 0.0036 0.0308 0.0946
Schistosoma mansoni hypothetical protein 0.0494 0.5874 0.5871
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0291 0.0913
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0541 0.0541
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0018 0.0018
Echinococcus multilocularis JmjC domain containing protein 4 0.0011 0.0008 0.0008
Echinococcus multilocularis tar DNA binding protein 0.0273 0.3188 0.3188
Echinococcus multilocularis lysine specific demethylase 6a 0.0011 0.0008 0.0008
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0012 0.0009 0.0058
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0412 0.0404
Schistosoma mansoni hypothetical protein 0.0035 0.0297 0.029
Brugia malayi hypothetical protein 0.0035 0.0297 0.091
Echinococcus granulosus jumonji domain containing 1A 0.0011 0.0008 0.0008
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0789 0.9466 0.9466
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0018 0.009 0.009
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0308 1
Schistosoma mansoni hypothetical protein 0.0012 0.0009 0.0002
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0308 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0066 0.0183
Echinococcus multilocularis jumonji domain containing 1A 0.0011 0.0008 0.0008
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.02 0.6642
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0013 0.0032 0.0032
Brugia malayi RNA recognition motif domain containing protein 0.0273 0.3188 1
Brugia malayi MH2 domain containing protein 0.0018 0.009 0.0259
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0764 0.0757
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0541 0.0534
Echinococcus granulosus dnaJ subfamily B 0.0494 0.5874 0.5874
Schistosoma mansoni tar DNA-binding protein 0.0273 0.3188 0.3183
Loa Loa (eye worm) hypothetical protein 0.006 0.0603 0.1892
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0297 0.0297
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0298 0.0933
Schistosoma mansoni inositol monophosphatase 0.0036 0.0308 0.0301
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0298 0.0298
Schistosoma mansoni cpg binding protein 0.0037 0.0315 0.0308
Schistosoma mansoni smad1 5 8 and 0.0018 0.009 0.0082
Echinococcus granulosus Smad4 0.0018 0.009 0.009
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0066 0.0066
Brugia malayi MH2 domain containing protein 0.0018 0.009 0.0259
Schistosoma mansoni smad 0.0018 0.009 0.0082
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.1271 0.1271
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.02 0.6401
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0066 0.0183
Leishmania major hypothetical protein, conserved 0.0027 0.02 0.6401
Toxoplasma gondii PHD-finger domain-containing protein 0.0012 0.0009 0.0026
Echinococcus multilocularis mothers against decapentaplegic 5 0.0018 0.009 0.009
Echinococcus multilocularis smad 0.0018 0.009 0.009
Brugia malayi Smad1 0.0018 0.009 0.0259
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0308 0.5
Schistosoma mansoni cpg binding protein 0.0037 0.0315 0.0308
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0308 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0298 0.0298
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0308 0.0308
Loa Loa (eye worm) hypothetical protein 0.0146 0.1645 0.5159
Loa Loa (eye worm) jmjC domain-containing protein 0.0011 0.0008 0.0024
Echinococcus granulosus phd:f box containing protein 0.0011 0.0008 0.0008
Schistosoma mansoni cpg binding protein 0.0035 0.0291 0.0284
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.02 0.6642
Echinococcus granulosus JmjC domain containing protein 4 0.0011 0.0008 0.0008
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0753 0.2363
Brugia malayi F/Y-rich N-terminus family protein 0.0022 0.0138 0.041
Schistosoma mansoni Smad4 0.0018 0.009 0.0082
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.049 0.1516
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0262 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.02 0.2914
Schistosoma mansoni smad1 5 8 and 0.0018 0.009 0.0082
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.02 0.6401
Echinococcus granulosus TGF beta signal transducer SmadC 0.0018 0.009 0.009
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0541 0.0534
Loa Loa (eye worm) RNA binding protein 0.0273 0.3188 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0541 0.1697
Loa Loa (eye worm) jmjC domain-containing protein 0.0011 0.0008 0.0024
Loa Loa (eye worm) MH1 domain-containing protein 0.0018 0.009 0.0282
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.1271 0.1271
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0014 0.0035 0.0947
Brugia malayi hypothetical protein 0.0027 0.02 0.0605
Schistosoma mansoni mixed-lineage leukemia protein mll 0.002 0.0114 0.0107
Loa Loa (eye worm) MH2 domain-containing protein 0.0266 0.3105 0.9738

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.6964 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) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 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) = 10 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 13.1154 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) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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 (binding) = 31.6228 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 35.4813 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 39.8107 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) 125.8925 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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