Detailed information for compound 1296551

Basic information

Technical information
  • TDR Targets ID: 1296551
  • Name: 2-(2-nitrophenyl)-N-pentan-3-ylacetamide
  • MW: 250.294 | Formula: C13H18N2O3
  • H donors: 1 H acceptors: 3 LogP: 2.82 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(NC(=O)Cc1ccccc1[N+](=O)[O-])CC
  • InChi: 1S/C13H18N2O3/c1-3-11(4-2)14-13(16)9-10-7-5-6-8-12(10)15(17)18/h5-8,11H,3-4,9H2,1-2H3,(H,14,16)
  • InChiKey: JGYCENHXKFGXSK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1-ethylpropyl)-2-(2-nitrophenyl)acetamide
  • 2-(2-nitrophenyl)-N-pentan-3-yl-ethanamide
  • MLS000574073
  • SMR000195659
  • Oprea1_350404
  • STK033527
  • ZINC00456888

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL 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
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
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
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
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
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
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 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) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
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 peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Inositol-1 0.0036 0.0559 0.0568
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0559 0.0559
Brugia malayi Pax transcription factor protein 2 0.0486 0.9846 1
Schistosoma mansoni hypothetical protein 0.0049 0.0826 0.0826
Echinococcus granulosus ornithine aminotransferase 0.0042 0.0673 0.0673
Plasmodium vivax ornithine aminotransferase, putative 0.0042 0.0673 0.2496
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0042 0.0673 0.0355
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0042 0.0673 0.0673
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.1756 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.1756 0.2245
Mycobacterium tuberculosis Probable aminotransferase 0.0295 0.5892 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0948 0.0948
Mycobacterium ulcerans hypothetical protein 0.0295 0.5892 1
Loa Loa (eye worm) pax transcription factor protein 2 0.0486 0.9846 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1164 0.5895
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0559 0.1711
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0826 0.0838
Echinococcus multilocularis ornithine aminotransferase 0.0042 0.0673 0.0673
Onchocerca volvulus 0.0035 0.0523 0.0532
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0029 0.0029
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.501 0.8345
Loa Loa (eye worm) inositol-1 0.0036 0.0559 0.0568
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.1756 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0559 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.1756 0.1756
Loa Loa (eye worm) hypothetical protein 0.0094 0.1756 0.1784
Mycobacterium ulcerans acetylornithine aminotransferase 0.0042 0.0673 0.0213
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0252 0.501 0.5088
Echinococcus multilocularis ornithine aminotransferase 0.0042 0.0673 0.0673
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.3221 0.4991
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0062 0.1085 0.1117
Echinococcus granulosus geminin 0.0205 0.403 0.403
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0295 0.5892 1
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.3221 0.4991
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0042 0.0673 0.0213
Loa Loa (eye worm) hypothetical protein 0.0024 0.0312 0.0317
Schistosoma mansoni cpg binding protein 0.0037 0.0564 0.0564
Echinococcus multilocularis geminin 0.0205 0.403 0.403
Schistosoma mansoni hypothetical protein 0.0011 0.0034 0.0034
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0948 0.0948
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1326 0.1326
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.501 0.8345
Brugia malayi CXXC zinc finger family protein 0.0035 0.0523 0.0532
Echinococcus multilocularis survival motor neuron protein 1 0.0242 0.4798 0.4798
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0559 1
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0295 0.5892 1
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.3221 0.4991
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.1756 1
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0295 0.5892 1
Echinococcus granulosus cpg binding protein 0.0037 0.0564 0.0564
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.1756 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.0481 0.0003
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0042 0.0673 0.0213
Onchocerca volvulus 0.0486 0.9846 1
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0042 0.0673 0.0355
Onchocerca volvulus 0.0049 0.0826 0.0838
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.3221 0.4991
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0948 0.0948
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.1756 0.236
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.3405 0.5335
Toxoplasma gondii hypothetical protein 0.0033 0.0479 0.1155
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.1756 1
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.3221 0.4991
Echinococcus multilocularis Aminotransferase class III 0.0042 0.0673 0.0673
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0042 0.0673 0.0213
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.3405 0.5335
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0948 0.0962
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.1756 0.2245
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0034 0.0034
Brugia malayi hypothetical protein 0.0024 0.0312 0.0317
Echinococcus granulosus survival motor neuron protein 1 0.0242 0.4798 0.4798
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0948 0.0948
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0948 0.0948
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0523 0.0532
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.1085 0.1085
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0948 0.0948
Schistosoma mansoni hypothetical protein 0.0205 0.403 0.403
Mycobacterium ulcerans L-lysine aminotransferase 0.0042 0.0673 0.0213
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0029 0.003
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.1756 0.1756
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0026 0.0027
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0033 0.0479 0.1155
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0029 0.0029
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.1756 1
Loa Loa (eye worm) hypothetical protein 0.0242 0.4798 0.4873
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.1756 0.1756
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0948 0.0948
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0042 0.0673 0.0355
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.501 0.8345
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0042 0.0673 0.0947
Echinococcus granulosus Aminotransferase class III 0.0042 0.0673 0.0673
Schistosoma mansoni inositol monophosphatase 0.0036 0.0559 0.0559
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0295 0.5892 1
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.501 0.8345
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0062 0.1085 0.1117
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0559 0.0559
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0559 1
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0042 0.0673 0.0358
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0033 0.0479 0.1155
Schistosoma mansoni cpg binding protein 0.0035 0.0523 0.0523
Echinococcus multilocularis cpg binding protein 0.0037 0.0564 0.0564
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.501 0.8345
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.3221 0.4991
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0042 0.0673 0.0213
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.1085 0.1119
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0042 0.0673 0.0358
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0559 0.5
Brugia malayi Probable ClpP-like protease 0.0094 0.1756 0.1784
Brugia malayi hypothetical protein 0.0016 0.0133 0.0136
Schistosoma mansoni inositol monophosphatase 0.0036 0.0559 0.0559
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0042 0.0673 0.0355
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.1756 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0252 0.501 0.5088
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.3221 0.4991
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0948 0.0962
Brugia malayi hypothetical protein 0.0242 0.4798 0.4873
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.1085 0.1085
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.1756 1
Schistosoma mansoni cpg binding protein 0.0037 0.0564 0.0564
Onchocerca volvulus Glucosylceramidase homolog 0.0165 0.3221 0.3271
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0042 0.0673 0.2496
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0034 0.0034
Schistosoma mansoni hypothetical protein 0.0205 0.403 0.403
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0042 0.0673 0.0358
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0042 0.0673 0.0683
Schistosoma mansoni survival motor neuron protein 0.0049 0.0826 0.0826
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0559 1
Plasmodium falciparum ornithine aminotransferase 0.0042 0.0673 0.2496
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.501 0.8345

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 55.7 um PUBCHEM_BIOASSAY: Dose response counterscreen assay for STAT3 activators: cell-based high throughput assay to measure STAT1 activation. (Class of assay: confirmatory) [Related pubchem assays: 1267, 871, 932, 1309, 1318 ] ChEMBL. No reference
IC50 (functional) > 55.7 um PUBCHEM_BIOASSAY: Dose response cell-based assay to measure STAT3 activation. (Class of assay: confirmatory) [Related pubchem assays: 1267, 871, 932, 1309, 1318 ] ChEMBL. No reference
Potency (functional) 2.8184 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) 3.1623 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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