Detailed information for compound 1370384

Basic information

Technical information
  • TDR Targets ID: 1370384
  • Name: 2-(2-nitrophenoxy)-N-(phenylmethyl)ethanamine ; oxalic acid
  • MW: 362.334 | Formula: C17H18N2O7
  • H donors: 3 H acceptors: 6 LogP: 0.26 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1ccccc1OCCNCc1ccccc1.OC(=O)C(=O)O
  • InChi: 1S/C15H16N2O3.C2H2O4/c18-17(19)14-8-4-5-9-15(14)20-11-10-16-12-13-6-2-1-3-7-13;3-1(4)2(5)6/h1-9,16H,10-12H2;(H,3,4)(H,5,6)
  • InChiKey: NOMLBWOTNQAYLH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • benzyl-[2-(2-nitrophenoxy)ethyl]amine; oxalic acid
  • ethanedioic acid; 2-(2-nitrophenoxy)-N-(phenylmethyl)ethanamine
  • MLS000974897
  • N-benzyl-2-(2-nitrophenoxy)ethanamine oxalate
  • SMR000497596

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 GNAS complex locus Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens potassium voltage-gated channel, subfamily H (eag-related), member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus multilocularis chromobox protein 1 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
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) voltage and ligand gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical 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
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum Potassium voltage-gated channel subfamily H member 2, putative Get druggable targets OG5_128858 All targets in OG5_128858
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus multilocularis potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus granulosus chromobox protein 1 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_129545 All targets in OG5_129545
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128858 All targets in OG5_128858
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 Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
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
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
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
Toxoplasma gondii ABC1 family protein 0.0043 0.0847 0.3262
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0847 0.0399
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0951 0.0545
Brugia malayi Choline O-acetyltransferase 0.0319 0.8702 1
Mycobacterium ulcerans hypothetical protein 0.0192 0.5082 1
Brugia malayi Choline O-acetyltransferase 0.0319 0.8702 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 1 1
Onchocerca volvulus 0.005 0.1027 0.1324
Echinococcus multilocularis choline O acetyltransferase 0.0319 0.8702 1
Onchocerca volvulus 0.0043 0.0847 0.1091
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.1069 0.0243
Brugia malayi Carboxylesterase family protein 0.0066 0.1496 0.1683
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0048 0.0966 0.013
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 1 1
Echinococcus multilocularis carboxylesterase 5A 0.0066 0.1496 0.1719
Echinococcus granulosus chromobox protein 1 0.0084 0.2005 0.2304
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0048 0.0966 0.013
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.1389 0.0592
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0066 0.1496 0.1067
Toxoplasma gondii hypothetical protein 0.0059 0.1284 1
Loa Loa (eye worm) hypothetical protein 0.0319 0.8702 1
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0048 0.0966 0.041
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0048 0.0966 0.1071
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.005 0.1027 0.0486
Loa Loa (eye worm) hypothetical protein 0.0043 0.0847 0.0262
Schistosoma mansoni choline o-acyltransferase 0.0319 0.8702 1
Brugia malayi Heterochromatin protein 1 0.0084 0.2005 0.2271
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.4526 0.402
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0048 0.0966 0.1071
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.4526 0.402
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.0048 0.0966 0.111
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1182 0.0678
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0847 0.0399
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0847 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0847 0.0399
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1182 0.0678
Trichomonas vaginalis chromobox protein, putative 0.0084 0.2005 0.2008
Trypanosoma cruzi choline/carnitine O-acetyltransferase, putative 0.0048 0.0966 0.013
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0847 0.5
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0048 0.0966 0.111
Trichomonas vaginalis chromobox protein, putative 0.0051 0.1054 0.0687
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0993 0.0445
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.1069 0.0243
Loa Loa (eye worm) hypothetical protein 0.0043 0.0847 0.0262
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0847 0.0399
Loa Loa (eye worm) choline O-acetyltransferase 0.0319 0.8702 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0847 0.0262
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.1069 0.0243
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 1 1
Echinococcus granulosus acetylcholinesterase 0.0066 0.1496 0.1719
Loa Loa (eye worm) hypothetical protein 0.0048 0.0966 0.041
Loa Loa (eye worm) carboxylesterase 0.0066 0.1496 0.1067
Echinococcus multilocularis chromobox protein 1 0.0084 0.2005 0.2304
Schistosoma mansoni chromobox protein 0.0084 0.2005 0.1699
Loa Loa (eye worm) hypothetical protein 0.0039 0.0709 0.0092
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0993 0.0445
Onchocerca volvulus 0.0048 0.0966 0.1245
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1182 0.0678
Echinococcus granulosus chromobox protein 1 0.0084 0.2005 0.2304
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1182 0.1358
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.4526 0.402
Brugia malayi Carboxylesterase family protein 0.0066 0.1496 0.1683
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0048 0.0966 0.1071
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0048 0.0966 0.013
Brugia malayi beta-lactamase family protein 0.0043 0.0847 0.0933
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0847 0.0262
Schistosoma mansoni chromobox protein 0.0084 0.2005 0.1699
Leishmania major carnitine/choline acetyltransferase, putative 0.0048 0.0966 0.013
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0951 0.1226
Brugia malayi beta-lactamase family protein 0.0043 0.0847 0.0933
Echinococcus granulosus acetylcholinesterase 0.0066 0.1496 0.1719
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0048 0.0966 0.013
Trypanosoma brucei carnitine O-palmitoyltransferase, putative 0.0048 0.0966 0.013
Mycobacterium leprae Probable lipase LipE 0.0043 0.0847 0.5
Trichomonas vaginalis esterase, putative 0.0043 0.0847 0.0399
Onchocerca volvulus 0.0043 0.0847 0.1091
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1182 0.1358
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.6769 0.7604
Loa Loa (eye worm) hypothetical protein 0.0043 0.0847 0.0262
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0045 0.0877 0.1008
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.2005 0.1699
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.1054 0.1358
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0635 0.073
Onchocerca volvulus 0.0048 0.0966 0.1245
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0048 0.0966 0.013
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0847 0.0262
Loa Loa (eye worm) beta-lactamase 0.0043 0.0847 0.0262
Onchocerca volvulus 0.0048 0.0966 0.1245
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.0793 0.0325
Brugia malayi chromobox protein homolog 3 0.0047 0.0951 0.1055
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.0048 0.0966 0.013
Echinococcus multilocularis acetylcholinesterase 0.0066 0.1496 0.1719
Loa Loa (eye worm) hypothetical protein 0.0047 0.0951 0.0393
Leishmania major carnitine palmitoyltransferase-like protein 0.0048 0.0966 0.013
Trypanosoma cruzi carnitine O-acetyltransferase, putative 0.0048 0.0966 0.013
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0597 0.0686
Trypanosoma cruzi hypothetical protein, conserved 0.0048 0.0966 0.013
Loa Loa (eye worm) hypothetical protein 0.0066 0.1496 0.1067
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.0793 0.0325
Echinococcus multilocularis acetylcholinesterase 0.0066 0.1496 0.1719
Trypanosoma brucei hypothetical protein, conserved 0.0048 0.0966 0.013
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0847 0.0973
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0045 0.0877 0.0969
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1182 0.0678
Trypanosoma brucei carnitine O-acetyltransferase, putative 0.0048 0.0966 0.013
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1182 0.1358
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.5082 0.6343
Trypanosoma cruzi hypothetical protein, conserved 0.0048 0.0966 0.013
Trypanosoma cruzi hypothetical protein, conserved 0.0048 0.0966 0.013
Echinococcus granulosus choline O acetyltransferase 0.0319 0.8702 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1182 0.1358
Brugia malayi Pre-SET motif family protein 0.0036 0.0635 0.0689
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.7523 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0847 0.0262
Loa Loa (eye worm) acetylcholinesterase 1 0.0066 0.1496 0.1067
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.0048 0.0966 0.111
Brugia malayi beta-lactamase 0.0043 0.0847 0.0933
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.0048 0.0966 0.013
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0847 0.0973
Onchocerca volvulus 0.0037 0.0661 0.0852
Echinococcus granulosus carboxylesterase 5A 0.0066 0.1496 0.1719
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.0877 0.03
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1182 0.132
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0048 0.0966 0.013
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0635 0.073
Trichomonas vaginalis chromobox protein, putative 0.0084 0.2005 0.2008
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0048 0.0966 0.013
Onchocerca volvulus 0.0043 0.0847 0.1091
Onchocerca volvulus 0.0286 0.7759 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0847 0.0399
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0951 0.0545
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0847 0.0933
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0048 0.0966 0.041
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0635 0.073
Trichomonas vaginalis chromobox protein, putative 0.0051 0.1054 0.0687
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0045 0.0877 0.1008
Loa Loa (eye worm) hypothetical protein 0.0037 0.0661 0.0033
Onchocerca volvulus 0.0048 0.0966 0.1245
Trypanosoma cruzi hypothetical protein, conserved 0.0048 0.0966 0.013
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0048 0.0966 0.111
Trichomonas vaginalis set domain proteins, putative 0.0286 0.7759 1
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.1069 0.0243
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0847 0.0262
Loa Loa (eye worm) hypothetical protein 0.0066 0.1496 0.1067
Brugia malayi Pre-SET motif family protein 0.0251 0.6769 0.7769
Trypanosoma cruzi hypothetical protein, conserved 0.0048 0.0966 0.013
Echinococcus multilocularis chromobox protein 1 0.0084 0.2005 0.2304
Loa Loa (eye worm) hypothetical protein 0.0043 0.0847 0.0262
Schistosoma mansoni choline o-acyltransferase 0.0048 0.0966 0.041

Activities

Activity type Activity value Assay description Source Reference
EC50 (ADMET) = 4.78 um PUBCHEM_BIOASSAY: Confirmation Dose Response screen for compounds that protect hERG from block by proarrhythmic agents. (Class of assay: confirmatory) [Related pubchem assays: 1511 (Primary HTS assay for 305616 compounds.)] ChEMBL. No reference
IC50 (functional) 153.3 uM PubChem BioAssay. Discovery of small molecule inhibitors of the oncogenic and cytokinetic protein MgcRacGAP - Primary and Confirmatory Screens. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.8584 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) 7.9433 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) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 17.7828 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) 44.6684 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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