Detailed information for compound 1412633

Basic information

Technical information
  • TDR Targets ID: 1412633
  • Name: N-butyl-3-chloro-N-ethylbenzamide
  • MW: 239.741 | Formula: C13H18ClNO
  • H donors: 0 H acceptors: 1 LogP: 3.63 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCN(C(=O)c1cccc(c1)Cl)CC
  • InChi: 1S/C13H18ClNO/c1-3-5-9-15(4-2)13(16)11-7-6-8-12(14)10-11/h6-8,10H,3-5,9H2,1-2H3
  • InChiKey: RAHHEUBEFSPECA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-butyl-3-chloro-N-ethyl-benzamide
  • MLS000099599
  • SMR000071355

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
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
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
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
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0149 0.1508 0.1499
Echinococcus granulosus endothelin converting enzyme 1 0.0197 0.2219 0.2987
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0537 0.728 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.1457 0.1448
Loa Loa (eye worm) hypothetical protein 0.0197 0.2219 0.2211
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0721 1 1
Echinococcus multilocularis endothelin converting enzyme 1 0.0197 0.2219 0.2932
Loa Loa (eye worm) hypothetical protein 0.0149 0.1508 0.1499
Echinococcus multilocularis aminopeptidase N 0.0143 0.1419 0.1815
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0062 0.0216 0.0134
Loa Loa (eye worm) hypothetical protein 0.0097 0.0746 0.0736
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0062 0.0216 0.0211
Loa Loa (eye worm) hypothetical protein 0.0197 0.2219 0.2211
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0062 0.0216 0.0134
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0062 0.0216 0.5
Onchocerca volvulus 0.0143 0.1419 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.1457 0.1448
Loa Loa (eye worm) hypothetical protein 0.0197 0.2219 0.2211
Schistosoma mansoni hypothetical protein 0.0051 0.0061 0.007
Brugia malayi hypothetical protein 0.0062 0.0216 0.0205
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0062 0.0216 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.012 0.0077
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.012 0.015
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0051 0.0061 0.007
Loa Loa (eye worm) hypothetical protein 0.0145 0.1457 0.1448
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.1898 0.2597
Schistosoma mansoni hypothetical protein 0.0051 0.0061 0.007
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0062 0.0216 0.0211
Schistosoma mansoni hypothetical protein 0.0051 0.0061 0.007
Schistosoma mansoni hypothetical protein 0.0051 0.0061 0.007
Mycobacterium leprae probable zinc metalloprotease 0.0197 0.2219 0.5
Loa Loa (eye worm) hypothetical protein 0.0149 0.1508 0.1499
Brugia malayi hypothetical protein 0.0242 0.2887 0.288
Brugia malayi Peptidase family M1 containing protein 0.0062 0.0216 0.0205
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.1898 0.2484
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0 0.5
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0062 0.0216 0.0282
Trypanosoma cruzi aminopeptidase, putative 0.0062 0.0216 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0062 0.0216 0.0134
Schistosoma mansoni hypothetical protein 0.0051 0.0061 0.007
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0062 0.0216 0.0134
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0062 0.0216 0.0211
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0062 0.0216 1
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0099 0.0773 0.1048
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0062 0.0216 0.0282
Loa Loa (eye worm) peptidase family M13 containing protein 0.0145 0.1457 0.1448
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0062 0.0216 0.5
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0537 0.728 0.7277
Loa Loa (eye worm) peptidase family M1 containing protein 0.0121 0.1093 0.1084
Loa Loa (eye worm) hypothetical protein 0.0149 0.1508 0.1499
Brugia malayi Peptidase family M1 containing protein 0.0143 0.1419 0.141
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0537 0.728 1
Schistosoma mansoni hypothetical protein 0.0051 0.0061 0.007
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0099 0.0773 0.1048
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3424 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0062 0.0216 0.0211
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.012 0.0109
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.1898 0.189
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0197 0.2219 0.2211
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.012 0.0109
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.0064 0.5
Onchocerca volvulus 0.0097 0.0746 0.4406
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0099 0.0773 0.1048
Entamoeba histolytica aminopeptidase, putative 0.0062 0.0216 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.012 0.015
Trypanosoma brucei Aminopeptidase M1, putative 0.0062 0.0216 0.5
Toxoplasma gondii peptidase family M13 protein 0.0197 0.2219 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.1826 0.2442
Loa Loa (eye worm) hypothetical protein 0.0145 0.1457 0.1448
Trypanosoma brucei Aminopeptidase M1, putative 0.0062 0.0216 0.5
Brugia malayi Peptidase family M13 containing protein 0.0197 0.2219 0.2211
Loa Loa (eye worm) hypothetical protein 0.0081 0.0502 0.0492
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.012 0.015
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.012 0.0077
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0062 0.0216 0.0134
Loa Loa (eye worm) peptidase family M13 containing protein 0.0145 0.1457 0.1448
Mycobacterium ulcerans zinc metalloprotease 0.0197 0.2219 1
Echinococcus granulosus leukotriene A 4 hydrolase 0.0537 0.728 1
Echinococcus granulosus aminopeptidase N 0.0143 0.1419 0.1878
Loa Loa (eye worm) aminopeptidase N 0.0062 0.0216 0.0205
Schistosoma mansoni neprilysin-2 (M13 family) 0.0099 0.0773 0.1048
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0062 0.0216 0.5
Trypanosoma cruzi Aminopeptidase M1, putative 0.0062 0.0216 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0062 0.0216 1
Loa Loa (eye worm) hypothetical protein 0.0149 0.1508 0.1499
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0197 0.2219 0.3038
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0062 0.0216 0.0134
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0099 0.0773 0.1048
Schistosoma mansoni neprilysin 0.0051 0.0061 0.007
Loa Loa (eye worm) acetyltransferase 0.0175 0.1898 0.189
Loa Loa (eye worm) hypothetical protein 0.0149 0.1508 0.1499
Loa Loa (eye worm) hypothetical protein 0.0103 0.0828 0.0818

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.7783 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 15.8489 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) = 17.7828 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) = 22.3872 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 (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 (functional) 29.0929 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) 89.1251 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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.