Detailed information for compound 1283491

Basic information

Technical information
  • TDR Targets ID: 1283491
  • Name: 2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(p yridin-3-ylmethyl)acetamide
  • MW: 296.324 | Formula: C16H16N4O2
  • H donors: 3 H acceptors: 3 LogP: 0.59 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CC1Nc2ccccc2NC1=O)NCc1cccnc1
  • InChi: 1S/C16H16N4O2/c21-15(18-10-11-4-3-7-17-9-11)8-14-16(22)20-13-6-2-1-5-12(13)19-14/h1-7,9,14,19H,8,10H2,(H,18,21)(H,20,22)
  • InChiKey: UUGIYKPYZVGBEE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(3-pyridylmethyl)acetamide
  • 2-(3-keto-2,4-dihydro-1H-quinoxalin-2-yl)-N-(3-pyridylmethyl)acetamide
  • 2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(pyridin-3-ylmethyl)ethanamide
  • 2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-(pyridin-3-ylmethyl)acetamide
  • MLS000046819
  • SMR000032830

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase Starlite/ChEMBL No references
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 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
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
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
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative 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 peptidase Clp S14 family 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
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative 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
Brugia malayi Probable ClpP-like protease 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
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 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
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 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 Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 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
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 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
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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis peptidase Clp (S14 family) 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
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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
Schistosoma japonicum ko:K06275 parvin, putative 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
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 15-lipoxygenase 662 aa 590 aa 23.9 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0034 0.0407
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0067 0.005
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0033 0.0014 0.1235
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0033 0.0014 0.1235
Loa Loa (eye worm) hypothetical protein 0.0035 0.0017 0.2442
Schistosoma mansoni patched 1 0.0041 0.0022 0.1511
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0067 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0017 0.2442
Loa Loa (eye worm) hypothetical protein 0.0097 0.0069 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.003 0.4348
Echinococcus granulosus metabotropic glutamate receptor 5 0.0049 0.0028 0.1741
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0045 0.0025 0.1744
Echinococcus multilocularis Niemann Pick C1 protein 0.0097 0.0069 0.0943
Echinococcus granulosus metabotropic glutamate receptor 2 0.0033 0.0015 0.0651
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.0067 1
Loa Loa (eye worm) doublecortin family protein 0.0024 0.0007 0.102
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0017 0.5
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0067 0.0043 0.3007
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0067 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0017 0.2442
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0022 0.1239
Brugia malayi hypothetical protein 0.0035 0.0017 0.2076
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0017 0.0002
Leishmania major hypothetical protein, conserved 0.0035 0.0017 0.5
Schistosoma mansoni loxhd1 0.0024 0.0007 0.031
Echinococcus multilocularis geminin 0.0166 0.0128 0.1846
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.0039 0.0025
Schistosoma mansoni polycystin 1-related 0.0024 0.0007 0.031
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.0067 0.4955
Mycobacterium ulcerans AcrR family transcriptional regulator 1.1821 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0226 0.0178 0.0162
Brugia malayi beta-lactamase 0.0035 0.0017 0.2079
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0034 0.0407
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0034 0.2205
Schistosoma mansoni hypothetical protein 0.0024 0.0007 0.031
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0017 0.0807
Brugia malayi Metabotropic glutamate receptor precursor. 0.0039 0.002 0.2616
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0067 0.0043 0.0555
Mycobacterium tuberculosis Transcriptional regulatory repressor protein (TetR-family) EthR 1.1821 1 1
Loa Loa (eye worm) glutamate receptor 0.0039 0.002 0.2954
Mycobacterium ulcerans transcriptional regulator 1.1821 1 1
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0036 0.0017 0.2136
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0034 0.2205
Schistosoma mansoni hypothetical protein 0.0035 0.0017 0.1092
Schistosoma mansoni hypothetical protein 0.004 0.0021 0.1409
Brugia malayi Doublecortin family protein 0.0024 0.0007 0.0589
Echinococcus multilocularis expressed conserved protein 0.0091 0.0064 0.0867
Brugia malayi hypothetical protein 0.0024 0.0007 0.0589
Schistosoma mansoni hypothetical protein 0.0166 0.0128 1
Echinococcus granulosus Niemann Pick C1 protein 0.0138 0.0104 0.802
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0034 0.2447
Loa Loa (eye worm) hypothetical protein 0.0035 0.0017 0.2442
Echinococcus granulosus Niemann Pick C1 protein 0.0097 0.0069 0.511
Loa Loa (eye worm) hypothetical protein 0.0024 0.0007 0.102
Toxoplasma gondii ABC1 family protein 0.0035 0.0017 0.0454
Echinococcus multilocularis protein dispatched 1 0.0047 0.0027 0.0305
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0034 0.4895
Schistosoma mansoni lipoxygenase 0.0024 0.0007 0.031
Schistosoma mansoni metabotropic glutamate receptor 0.0033 0.0015 0.094
Schistosoma mansoni rab6-interacting 0.0024 0.0007 0.031
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0017 0.0149
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0067 1
Loa Loa (eye worm) hypothetical protein 0.0094 0.0067 0.9727
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.0039 0.2672
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0017 0.5
Onchocerca volvulus 0.0035 0.0017 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0017 0.1633
Echinococcus granulosus geminin 0.0166 0.0128 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.0039 0.0493
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0049 0.0028 0.0321
Echinococcus multilocularis Niemann Pick C1 protein 0.0138 0.0104 0.148
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0067 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0017 0.1094
Loa Loa (eye worm) hypothetical protein 0.0035 0.0017 0.2442
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0022 0.1239
Brugia malayi CHE-14 protein 0.0041 0.0022 0.2872
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0067 0.005
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0017 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0034 0.2447
Loa Loa (eye worm) hypothetical protein 0.0049 0.0028 0.4079
Mycobacterium leprae Probable lipase LipE 0.0035 0.0017 0.0002
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0017 0.2442
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0033 0.0015 0.012
Schistosoma mansoni hypothetical protein 0.0166 0.0128 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0097 0.0069 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0034 0.465
Brugia malayi beta-lactamase family protein 0.0035 0.0017 0.2079
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0017 0.0149
Brugia malayi beta-lactamase family protein 0.0035 0.0017 0.2079
Schistosoma mansoni lipoxygenase 0.0067 0.0043 0.3224
Loa Loa (eye worm) hypothetical protein 0.0035 0.0017 0.2442
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.0067 0.5111
Loa Loa (eye worm) hypothetical protein 0.0041 0.0022 0.3198
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.0067 0.5
Onchocerca volvulus 0.0035 0.0017 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0017 0.0809
Schistosoma mansoni rab6-interacting 0.0024 0.0007 0.031
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0022 0.3198
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0062 0.0039 0.0023
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0017 0.2079
Brugia malayi hypothetical protein 0.0024 0.0007 0.0589
Loa Loa (eye worm) hypothetical protein 0.0024 0.0007 0.102
Brugia malayi Niemann-Pick C1 protein precursor 0.0097 0.0069 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0796 0.0661 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0017 0.1094
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.0067 0.0915
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0017 0.1092
Loa Loa (eye worm) beta-lactamase 0.0035 0.0017 0.2442
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.007 0.5363
Onchocerca volvulus 0.0035 0.0017 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0022 0.0229
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0022 1
Mycobacterium ulcerans TetR family transcriptional regulator 1.1821 1 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.0067 0.0053
Echinococcus multilocularis protein patched 0.0041 0.0022 0.0229
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0067 0.5
Schistosoma mansoni hypothetical protein 0.004 0.0021 0.1409
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0062 0.0039 0.0023
Brugia malayi Probable ClpP-like protease 0.0094 0.0067 0.9714
Schistosoma mansoni hypothetical protein 0.004 0.0021 0.1409
Echinococcus granulosus expressed conserved protein 0.0091 0.0064 0.4699
Schistosoma mansoni hypothetical protein 0.004 0.0021 0.1409
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0034 0.2447
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0067 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.0795 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) 11.6891 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 35.4813 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 56.2341 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) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] 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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