Detailed information for compound 1254235

Basic information

Technical information
  • TDR Targets ID: 1254235
  • Name: [2-[(4-chlorophenyl)amino]-2-oxoethyl] 2-morp holin-4-yl-5-nitrobenzoate
  • MW: 419.816 | Formula: C19H18ClN3O6
  • H donors: 1 H acceptors: 4 LogP: 2.88 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)Cl)COC(=O)c1cc(ccc1N1CCOCC1)[N+](=O)[O-]
  • InChi: 1S/C19H18ClN3O6/c20-13-1-3-14(4-2-13)21-18(24)12-29-19(25)16-11-15(23(26)27)5-6-17(16)22-7-9-28-10-8-22/h1-6,11H,7-10,12H2,(H,21,24)
  • InChiKey: USUIBUSVNIIEQC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-[(4-chlorophenyl)amino]-2-oxo-ethyl] 2-morpholino-5-nitro-benzoate
  • 2-morpholino-5-nitrobenzoic acid [2-[(4-chlorophenyl)amino]-2-oxoethyl] ester
  • 2-morpholino-5-nitro-benzoic acid [2-[(4-chlorophenyl)amino]-2-keto-ethyl] ester
  • [2-[(4-chlorophenyl)amino]-2-oxo-ethyl] 2-morpholin-4-yl-5-nitro-benzoate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens fatty acid synthase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Onchocerca volvulus Fatty acid synthase homolog Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum KR domain domain-containing protein, putative Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks5 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum Short-chain dehydrogenase/reductase SDR, related Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum Soraphen polyketide synthase A, related Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks2 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks7 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks8 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks12 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Onchocerca volvulus Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) acyl carrier protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks15 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii AMP-binding enzyme domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA Get druggable targets OG5_126633 All targets in OG5_126633
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi brahma associated protein 60 kDa 0.0056 0.9702 0.9653
Loa Loa (eye worm) cytochrome P450 family protein 0.0016 0.1428 0.0576
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.001 0.0188 0.0251
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.2171 1
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.473 0.6337
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.003 0.4337 0.581
Mycobacterium ulcerans polyketide synthase 0.0032 0.473 0.6337
Brugia malayi YY1-associated factor 2 0.002 0.2171 0.0883
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0056 0.9702 1
Trypanosoma cruzi WLM domain containing protein, putative 0.002 0.2171 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.002 0.2171 1
Trypanosoma brucei hypothetical protein, conserved 0.002 0.2171 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.8759 0.8925
Mycobacterium tuberculosis Probable thioesterase TesA 0.0025 0.3283 0.4398
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.4337 0.581
Loa Loa (eye worm) hypothetical protein 0.002 0.2171 0.1424
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.002 0.2171 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0024 0.3102 0.4155
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.7153 0.6925
Echinococcus granulosus ring and YY1 binding protein 0.002 0.2171 0.0915
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.5359 0.4595
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.7153 0.6925
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.003 0.4337 0.3405
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.473 0.6337
Mycobacterium ulcerans polyketide synthase 0.003 0.4337 0.581
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0032 0.473 0.6337
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0045 0.7465 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0056 0.9702 1
Schistosoma mansoni hypothetical protein 0.002 0.2171 0.0915
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.002 0.2171 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0056 0.9702 1
Echinococcus granulosus Zinc finger RanBP2 type 0.002 0.2171 0.0915
Onchocerca volvulus 0.0028 0.3922 0.2325
Loa Loa (eye worm) hypothetical protein 0.0051 0.8637 0.8787
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0029 0.4144 0.5551
Entamoeba histolytica hypothetical protein 0.0043 0.7153 0.5
Plasmodium vivax hypothetical protein, conserved 0.0056 0.9702 0.5
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0028 0.3922 0.3417
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0028 0.3922 0.5254
Schistosoma mansoni hypothetical protein 0.0056 0.9702 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.003 0.4337 0.581
Schistosoma mansoni fusion 0.002 0.2171 0.0915
Onchocerca volvulus Fatty acid synthase homolog 0.0054 0.9413 0.9617
Mycobacterium leprae Probable polyketide synthase Pks1 0.0032 0.473 0.6337
Schistosoma mansoni zinc finger protein 0.002 0.2171 0.0915
Entamoeba histolytica hypothetical protein 0.0043 0.7153 0.5
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.002 0.2171 0.0915
Schistosoma mansoni hypothetical protein 0.0056 0.9702 1
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0029 0.4144 0.5551
Leishmania major hypothetical protein, conserved 0.002 0.2171 1
Onchocerca volvulus 0.0052 0.9021 0.9095
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.8759 0.8554
Mycobacterium ulcerans polyketide synthase Pks13 0.0045 0.7465 1
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0012 0.0571 0.0765
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.2171 1
Chlamydia trachomatis SWIB complex protein 0.0056 0.9702 0.5
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0032 0.473 0.6337
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0025 0.3283 0.4398
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.3102 0.4155
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0016 0.1428 0.1912
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.002 0.2116 0.1067
Echinococcus multilocularis SWI:SNF matrix associated 0.0056 0.9702 1
Echinococcus multilocularis zinc finger protein Ran binding 0.002 0.2171 0.0915
Trypanosoma brucei hypothetical protein, conserved 0.002 0.2171 1
Entamoeba histolytica hypothetical protein 0.0043 0.7153 0.5
Brugia malayi hypothetical protein 0.0043 0.7153 0.6684
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.002 0.2171 0.0883
Leishmania major hypothetical protein, conserved 0.002 0.2171 1
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.002 0.2171 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.7153 0.6925
Echinococcus multilocularis ring and YY1 binding protein 0.002 0.2171 0.0915
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.1413 0.056
Echinococcus multilocularis Zinc finger, RanBP2 type 0.002 0.2171 0.0915
Loa Loa (eye worm) cytochrome P450 family protein 0.0016 0.1428 0.0576
Schistosoma mansoni brg-1 associated factor 0.0056 0.9702 1
Loa Loa (eye worm) hypothetical protein 0.002 0.2171 0.1424
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.8759 0.8554
Loa Loa (eye worm) hypothetical protein 0.0017 0.1557 0.0723
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0025 0.3185 0.4267
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0045 0.7465 1
Loa Loa (eye worm) fatty acid synthase 0.003 0.4253 0.3794
Loa Loa (eye worm) hypothetical protein 0.0035 0.5359 0.5053
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.2171 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.002 0.2195 0.2941
Brugia malayi brahma associated protein 60 kDa 0.0056 0.9702 0.9653
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0024 0.3102 0.4155
Toxoplasma gondii type I fatty acid synthase, putative 0.0032 0.473 0.4146
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.002 0.2171 0.0883
Schistosoma mansoni hypothetical protein 0.0056 0.9702 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0056 0.9702 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.003 0.4337 0.581
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0056 0.9702 1
Loa Loa (eye worm) hypothetical protein 0.002 0.2171 0.1424
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.003 0.4337 0.581
Schistosoma mansoni hypothetical protein 0.0035 0.5359 0.476
Leishmania major hypothetical protein, conserved 0.002 0.2171 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.4337 0.581
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.002 0.2171 0.0883
Mycobacterium leprae Polyketide synthase Pks13 0.0045 0.7465 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.002 0.2171 1
Mycobacterium ulcerans thioesterase 0.0025 0.3283 0.4398
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.002 0.2171 0.1133
Mycobacterium ulcerans thioesterase TesA 0.0025 0.3283 0.4398
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.002 0.2171 0.0883
Brugia malayi AMP-binding enzyme family protein 0.0028 0.3922 0.2922
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.4337 0.581
Onchocerca volvulus 0.0056 0.9702 1
Loa Loa (eye worm) hypothetical protein 0.002 0.2171 0.1424
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0017 0.1609 0.2155
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0056 0.9702 1
Brugia malayi Cytochrome P450 family protein 0.0016 0.1428 0.0017
Trypanosoma cruzi WLM domain containing protein, putative 0.002 0.2171 1
Loa Loa (eye worm) CYP4Cod1 0.0016 0.1428 0.0576
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0022 0.2556 0.3424
Brugia malayi SWIB/MDM2 domain containing protein 0.0056 0.9702 0.9653
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0056 0.9702 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.4337 0.581
Loa Loa (eye worm) hypothetical protein 0.002 0.2171 0.1424
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.002 0.2171 1
Loa Loa (eye worm) brahma associated protein 0.0056 0.9702 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.8759 0.8925
Schistosoma mansoni hypothetical protein 0.0043 0.7153 0.6925
Schistosoma mansoni RNA binding protein 0.002 0.2171 0.0915
Chlamydia trachomatis DNA topoisomerase I 0.0056 0.9702 0.5
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0032 0.473 0.6337
Toxoplasma gondii ran binding protein 0.002 0.2171 0.1133
Echinococcus multilocularis SWI:SNF matrix associated 0.0056 0.9702 1
Echinococcus granulosus Nuclear pore complex protein Nup153 0.002 0.2171 0.0915
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0032 0.473 0.6337
Loa Loa (eye worm) hypothetical protein 0.0016 0.1413 0.056
Leishmania major hypothetical protein, conserved 0.002 0.2171 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.4337 0.581
Toxoplasma gondii type I fatty acid synthase, putative 0.0021 0.2515 0.1537
Entamoeba histolytica hypothetical protein 0.0043 0.7153 0.5
Mycobacterium ulcerans polyketide synthase Pks9 0.002 0.2195 0.2941
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0056 0.9702 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.9702 0.5
Schistosoma mansoni TRABID protein (C64 family) 0.002 0.2171 0.0915
Echinococcus granulosus SWI:SNF matrix associated 0.0056 0.9702 1
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0032 0.473 0.6337
Leishmania major hypothetical protein, conserved 0.002 0.2171 1
Echinococcus granulosus zinc finger protein Ran binding 0.002 0.2171 0.0915
Brugia malayi Cytochrome P450 family protein 0.0016 0.1428 0.0017
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0056 0.9702 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.002 0.2195 0.2941
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.002 0.2171 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 1.96 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of the thioesterase domain of fatty acid synthase via a kinetic, fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 2.23 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits of the thioesterase domain of fatty acid synthase via a fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 3.2944 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) 18.3564 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 28.1838 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 (binding) 28.1838 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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