Detailed information for compound 1311524

Basic information

Technical information
  • TDR Targets ID: 1311524
  • Name: methyl 4-[[2-[2-(4,6-dimethylpyrimidin-2-yl)s ulfanylacetyl]oxyacetyl]amino]benzoate
  • MW: 389.426 | Formula: C18H19N3O5S
  • H donors: 1 H acceptors: 5 LogP: 2.52 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(cc1)NC(=O)COC(=O)CSc1nc(C)cc(n1)C
  • InChi: 1S/C18H19N3O5S/c1-11-8-12(2)20-18(19-11)27-10-16(23)26-9-15(22)21-14-6-4-13(5-7-14)17(24)25-3/h4-8H,9-10H2,1-3H3,(H,21,22)
  • InChiKey: OLLBJCCXFFXQRI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[2-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethoxy]-1-oxoethyl]amino]benzoic acid methyl ester
  • 4-[[2-[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]oxyacetyl]amino]benzoic acid methyl ester
  • methyl 4-[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyloxy]ethanoylamino]benzoate
  • 4-{2-[2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-acetoxy]-acetylamino}-benzoic acid methyl ester
  • MLS000558350
  • SMR000178491
  • STK188484
  • BAS 07023746
  • ZINC00806235

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative 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
Plasmodium vivax histone acetyltransferase GCN5, putative 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
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi 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
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis histone acetyltransferase 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
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trichomonas vaginalis inositol monophosphatase, putative 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
Plasmodium yoelii histone acetyltransferase GCN5-related 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
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Brugia malayi acetyltransferase, GNAT family protein 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
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative 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
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis 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
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, 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
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium berghei histone acetyltransferase GCN5, putative 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
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, 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
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Entamoeba histolytica myo-inositol monophosphatase, 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
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trichomonas vaginalis myo inositol monophosphatase, putative 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
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
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase 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
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
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 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
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 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
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 %
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) histone methyltransferase 0.001 0.0108 0.022
Schistosoma mansoni transcription factor LCR-F1 0.0118 0.2528 0.2509
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1012 0.0989
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.4189 1
Schistosoma mansoni cpg binding protein 0.0032 0.0598 0.0575
Schistosoma mansoni hypothetical protein 0.0118 0.2528 0.2509
Loa Loa (eye worm) latrophilin receptor protein 2 0.0052 0.1046 0.2699
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.1036 0.0209
Schistosoma mansoni hypothetical protein 0.0052 0.1046 0.1023
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.1036 0.0209
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.8053 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.1046 0.2699
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.1012 0.261
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1012 0.0989
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.3752 0.3999
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0052 0.1046 0.1023
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.3752 0.3999
Echinococcus granulosus geminin 0.0369 0.8159 0.8154
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.1041 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.1012 0.261
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.1012 0.0989
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.1012 0.0989
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.8053 1
Brugia malayi latrophilin 2 splice variant baaae 0.0112 0.2389 0.625
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.0945 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.1012 0.0989
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0118 0.2528 0.2509
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.1012 0.0989
Brugia malayi hypothetical protein 0.0163 0.3528 0.9264
Brugia malayi Inositol-1 0.0045 0.0887 0.2279
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0052 0.1046 0.1023
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.1041 0.3474
Entamoeba histolytica hypothetical protein 0.0118 0.2528 1
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.0945 0.5
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.3807 0.3791
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0118 0.2528 0.2509
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0598 0.1516
Echinococcus multilocularis GPCR, family 2 0.0052 0.1046 0.1023
Loa Loa (eye worm) inositol-1 0.0045 0.0887 0.2279
Toxoplasma gondii histone lysine methyltransferase SET1 0.0064 0.133 1
Schistosoma mansoni hypothetical protein 0.0369 0.8159 0.8154
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0782 0.5
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.1036 0.0209
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0887 0.5
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0065 0.004
Entamoeba histolytica hypothetical protein 0.0118 0.2528 1
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0105 0.0213
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0887 0.8449
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0052 0.1046 0.1023
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.3807 0.3791
Loa Loa (eye worm) hypothetical protein 0.0163 0.3546 0.9311
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0108 0.0083
Schistosoma mansoni hypothetical protein 0.0052 0.1046 0.1023
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0052 0.1046 0.1023
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.1041 0.1018
Echinococcus multilocularis cpg binding protein 0.0034 0.0639 0.0616
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.3807 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.8053 1
Toxoplasma gondii hypothetical protein 0.0059 0.1205 0.7193
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0887 0.8449
Schistosoma mansoni hypothetical protein 0.0112 0.2389 0.237
Schistosoma mansoni inositol monophosphatase 0.0045 0.0887 0.0864
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.1041 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.1036 0.0209
Schistosoma mansoni hypothetical protein 0.0052 0.1046 0.1023
Loa Loa (eye worm) hypothetical protein 0.0112 0.2389 0.625
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.3697 0.3681
Schistosoma mansoni cpg binding protein 0.0034 0.0639 0.0616
Brugia malayi CXXC zinc finger family protein 0.0032 0.0598 0.1516
Schistosoma mansoni hypothetical protein 0.0369 0.8159 0.8154
Echinococcus multilocularis dnaJ subfamily B 0.0452 1 1
Echinococcus granulosus cpg binding protein 0.0034 0.0639 0.0616
Schistosoma mansoni hypothetical protein 0.0052 0.1046 0.1023
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0887 0.8449
Echinococcus multilocularis geminin 0.0369 0.8159 0.8154
Entamoeba histolytica hypothetical protein 0.0118 0.2528 1
Onchocerca volvulus 0.0163 0.3528 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0065 0.004
Schistosoma mansoni cpg binding protein 0.0034 0.0639 0.0616
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1012 0.0989
Schistosoma mansoni hypothetical protein 0.0452 1 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.1041 1
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.8053 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0067 0.1394 0.1373
Schistosoma mansoni inositol monophosphatase 0.0045 0.0887 0.0864
Echinococcus granulosus GPCR family 2 0.0052 0.1046 0.1023
Loa Loa (eye worm) hypothetical protein 0.0163 0.3528 0.9264
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0887 0.0864
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0163 0.3546 0.9311
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0065 0.004
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0163 0.3546 0.9311
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0065 0.004
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.1041 0.3474
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0108 0.0083
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.3752 0.3999
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0052 0.1046 0.2699
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0065 0.004
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0887 0.0864
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.0945 0.0352
Brugia malayi Latrophilin receptor protein 2 0.0052 0.1046 0.2699
Mycobacterium ulcerans hypothetical protein 0.0192 0.4189 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.1288 0.0559
Loa Loa (eye worm) acetyltransferase 0.0175 0.3807 1
Entamoeba histolytica hypothetical protein 0.0118 0.2528 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0163 0.3546 0.9311
Brugia malayi hypothetical protein 0.0118 0.2528 0.6619

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 53 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule agonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 47.1 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule antagonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.1259 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.6611 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 10.4179 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) 31.6228 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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