Detailed information for compound 1410991

Basic information

Technical information
  • TDR Targets ID: 1410991
  • Name: [2-[(4-methyl-2-nitrophenyl)amino]-2-oxoethyl ] 4-(4-tert-butylphenyl)-4-oxobutanoate
  • MW: 426.462 | Formula: C23H26N2O6
  • H donors: 1 H acceptors: 5 LogP: 4.68 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CCC(=O)c1ccc(cc1)C(C)(C)C)OCC(=O)Nc1ccc(cc1[N+](=O)[O-])C
  • InChi: 1S/C23H26N2O6/c1-15-5-10-18(19(13-15)25(29)30)24-21(27)14-31-22(28)12-11-20(26)16-6-8-17(9-7-16)23(2,3)4/h5-10,13H,11-12,14H2,1-4H3,(H,24,27)
  • InChiKey: OBQBIFFCSQJXEK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxo-ethyl] 4-(4-tert-butylphenyl)-4-oxo-butanoate
  • 4-(4-tert-butylphenyl)-4-oxobutanoic acid [2-[(4-methyl-2-nitrophenyl)amino]-2-oxoethyl] ester
  • 4-(4-tert-butylphenyl)-4-keto-butyric acid [2-keto-2-[(4-methyl-2-nitro-phenyl)amino]ethyl] ester
  • SMR000254083
  • T5282828
  • MLS000336529

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
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
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
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
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis guanine nucleotide binding protein G(s) 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
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0008 0.0027
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.4203 0.4203
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0104 0.0104
Loa Loa (eye worm) SET domain-containing protein 0.0629 0.3144 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0166 0.0166
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0166 0.0527
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0166 0.0166
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.026 1
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.004 0.0088 0.0088
Onchocerca volvulus 0.006 0.0188 0.1331
Brugia malayi SET domain containing protein 0.0025 0.0008 0.0025
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0166 0.0527
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0059 0.0059
Schistosoma mansoni enhancer of zeste ezh 0.0629 0.3144 0.3144
Brugia malayi hypothetical protein 0.0256 0.1208 0.3842
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.026 0.5
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0142 0.1007
Trypanosoma cruzi hypothetical protein, conserved 0.0023 0 0.5
Onchocerca volvulus 0.0296 0.1414 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.026 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0166 0.0166
Schistosoma mansoni ae-1 binding protein aebp2 0.195 1 1
Schistosoma mansoni bromodomain containing protein 0.0076 0.0276 0.0276
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.002 0.002
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0104 0.0104
Echinococcus granulosus histone lysine methyltransferase setb 0.0066 0.0224 0.0224
Loa Loa (eye worm) hypothetical protein 0.0052 0.0146 0.0466
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.026 0.026
Brugia malayi Pre-SET motif family protein 0.0261 0.1234 0.3925
Brugia malayi Bromodomain containing protein 0.0046 0.0119 0.0379
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0261 0.1234 0.3925
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.026 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.0322 0.1025
Echinococcus granulosus zinc finger protein 0.0024 0.0002 0.0002
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.002 0.002
Schistosoma mansoni chromobox protein 0.0084 0.0316 0.0316
Schistosoma mansoni zinc finger protein 0.0024 0.0002 0.0002
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0046 0.0117 0.0117
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.026 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0124 0.0876
Entamoeba histolytica WD domain containing protein 0.004 0.0088 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.006 0.0188 0.0188
Brugia malayi chromobox protein homolog 3 0.0047 0.0124 0.0394
Brugia malayi Pre-SET motif family protein 0.0046 0.0117 0.0371
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0142 0.1007
Echinococcus granulosus chromobox protein 1 0.0084 0.0316 0.0316
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.002 0.002
Trypanosoma cruzi ribosome assembly protein RRB1, putative 0.0023 0 0.5
Brugia malayi Bromodomain containing protein 0.0091 0.0349 0.1111
Schistosoma mansoni embryonic ectoderm development protein 0.0316 0.1519 0.1519
Echinococcus granulosus retinoblastoma binding protein 4 0.004 0.0088 0.0088
Giardia lamblia Histone acetyltransferase type B subunit 2 0.004 0.0088 1
Plasmodium vivax SET domain protein, putative 0.0046 0.0117 1
Onchocerca volvulus 0.0037 0.0071 0.0502
Trypanosoma cruzi hypothetical protein, conserved 0.0023 0 0.5
Leishmania major hypothetical protein, conserved 0.004 0.0088 0.3377
Echinococcus granulosus histone lysine N methyltransferase Ez 0.0629 0.3144 0.3144
Toxoplasma gondii RbAp46 0.004 0.0088 0.3377
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0316 0.2233
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0166 0.0166
Echinococcus multilocularis Zinc finger protein jing protein 0.195 1 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.4203 0.4203
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0066 0.0224 0.0224
Echinococcus multilocularis polycomb protein suz12 A 0.1083 0.55 0.55
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0166 0.0166
Echinococcus multilocularis zinc finger protein 0.0024 0.0002 0.0002
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0124 0.0876
Trypanosoma brucei ribosome assembly protein RRB1, putative 0.0023 0 0.5
Echinococcus multilocularis polycomb protein EED 0.0316 0.1519 0.1519
Plasmodium vivax chromatin assembly factor 1 P55 subunit, putative 0.004 0.0088 0.7512
Brugia malayi SET domain containing protein 0.0629 0.3144 1
Schistosoma mansoni hypothetical protein 0.0025 0.0008 0.0008
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0253 0.0253
Brugia malayi PHD-finger family protein 0.003 0.0035 0.0112
Loa Loa (eye worm) WD domain-containing protein 0.0316 0.1519 0.4833
Brugia malayi Heterochromatin protein 1 0.0084 0.0316 0.1004
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.026 0.026
Schistosoma mansoni hypothetical protein 0.1083 0.55 0.55
Echinococcus multilocularis retinoblastoma binding protein 4 0.004 0.0088 0.0088
Schistosoma mansoni chromobox protein 0.0084 0.0316 0.0316
Echinococcus granulosus histone binding protein Caf1 0.004 0.0088 0.0088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0166 0.0166
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0316 0.2233
Plasmodium vivax chromatin assembly factor 1 protein WD40 domain, putative 0.004 0.0088 0.7512
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0142 0.1007
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0166 0.0166
Echinococcus multilocularis histone binding protein Caf1 0.004 0.0088 0.0088
Echinococcus granulosus chromobox protein 1 0.0084 0.0316 0.0316
Onchocerca volvulus 0.0256 0.1208 0.8542
Plasmodium falciparum chromatin assembly factor 1 protein WD40 domain, putative 0.004 0.0088 1
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0316 0.1004
Echinococcus granulosus polycomb protein suz12 A 0.1083 0.55 0.55
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0052 0.0371
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0124 0.0876
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.026 0.5
Trichomonas vaginalis set domain proteins, putative 0.0296 0.1414 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0124 0.0394
Toxoplasma gondii RbAp48 0.004 0.0088 0.3377
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.026 0.026
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0253 0.0253
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0046 0.0117 0.4496
Echinococcus multilocularis chromobox protein 1 0.0084 0.0316 0.0316
Echinococcus multilocularis histone lysine N methyltransferase E(z) 0.0629 0.3144 0.3144
Loa Loa (eye worm) hypothetical protein 0.0037 0.0071 0.0226
Brugia malayi WD domain containing protein 0.0316 0.1519 0.4833
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.0117 0.0117
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.004 0.0088 0.3377
Plasmodium vivax chromatin assembly factor 1 P55 subunit, putative 0.004 0.0088 0.7512
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0066 0.0224 0.0224
Echinococcus granulosus polycomb protein EED 0.0316 0.1519 0.1519
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.4203 0.4203
Plasmodium falciparum chromatin assembly factor 1 subunit, putative 0.004 0.0088 1
Loa Loa (eye worm) hypothetical protein 0.0256 0.1208 0.3842
Plasmodium falciparum chromatin assembly factor 1 P55 subunit, putative 0.004 0.0088 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0066 0.0224 0.0224
Loa Loa (eye worm) hypothetical protein 0.0046 0.012 0.038
Echinococcus multilocularis chromobox protein 1 0.0084 0.0316 0.0316
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0052 0.0371
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.026 0.026
Trypanosoma brucei predicted WD40 repeat protein 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.0134 0.0428
Loa Loa (eye worm) hypothetical protein 0.0066 0.0224 0.0711

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.5012 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) 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) = 1.9953 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) 5.6234 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) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 11.2202 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) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 28.1838 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) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) 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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