Detailed information for compound 1389917

Basic information

Technical information
  • TDR Targets ID: 1389917
  • Name: [2-[(3,5-dichloro-4-methylpyridin-2-yl)amino] -2-oxoethyl] 1,3-benzothiazole-6-carboxylate
  • MW: 396.248 | Formula: C16H11Cl2N3O3S
  • H donors: 1 H acceptors: 4 LogP: 4.02 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ncc(c(c1Cl)C)Cl)COC(=O)c1ccc2c(c1)scn2
  • InChi: 1S/C16H11Cl2N3O3S/c1-8-10(17)5-19-15(14(8)18)21-13(22)6-24-16(23)9-2-3-11-12(4-9)25-7-20-11/h2-5,7H,6H2,1H3,(H,19,21,22)
  • InChiKey: OYOPYZXBHFJXPZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-[(3,5-dichloro-4-methyl-2-pyridyl)amino]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate
  • 1,3-benzothiazole-6-carboxylic acid [2-[(3,5-dichloro-4-methyl-2-pyridyl)amino]-2-oxoethyl] ester
  • 1,3-benzothiazole-6-carboxylic acid [2-[(3,5-dichloro-4-methyl-2-pyridyl)amino]-2-keto-ethyl] ester
  • [2-[(3,5-dichloro-4-methyl-pyridin-2-yl)amino]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate
  • T5284647
  • MLS000334397
  • SMR000249155

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania major ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum ko:K00850 6-phosphofructokinase [EC2.7.1.11], putative Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium ulcerans 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania infantum ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania donovani ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania braziliensis ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus granulosus 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania mexicana 6-phospho-1-fructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma congolense ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans hypothetical protein Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
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
Leishmania major fatty acid desaturase, putative 0.0155 0.0215 0.0215
Schistosoma mansoni fatty acid desaturase 0.0329 0.1794 1
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0241 0.1 0.4389
Trypanosoma brucei sphingolipid delta 4 desaturase, putative 0.0155 0.0215 0.0215
Mycobacterium ulcerans transmembrane alkane 1-monooxygenase AlkB 0.0155 0.0215 0.0945
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0241 0.1 1
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0241 0.1 0.4389
Trypanosoma cruzi cytochrome P450, putative 0.0382 0.2278 0.2278
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0156 0.0221 0.0221
Trypanosoma cruzi cytochrome P450, putative 0.0382 0.2278 0.2278
Loa Loa (eye worm) acyl-CoA desaturase 0.1075 0.8585 1
Leishmania major delta-5 fatty acid desaturase 0.0328 0.1788 0.1788
Leishmania major cytochrome p450-like protein 0.0241 0.1 0.1
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0155 0.0215 0.0945
Loa Loa (eye worm) hypothetical protein 0.0173 0.0379 0.0442
Schistosoma mansoni cytochrome P450 0.0241 0.1 0.5573
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0241 0.1 1
Onchocerca volvulus 0.123 0.9994 1
Echinococcus multilocularis 0.0241 0.1 0.1296
Schistosoma mansoni hypothetical protein 0.0241 0.1 0.5573
Leishmania major delta-6 fatty acid desaturase 0.0156 0.0221 0.0221
Loa Loa (eye worm) CYP4Cod1 0.0382 0.2278 0.2653
Trypanosoma cruzi fatty acid desaturase, putative 0.1231 1 1
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0241 0.1 1
Toxoplasma gondii cytochrome p450 superfamily protein 0.0241 0.1 1
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0241 0.1 0.4389
Leishmania major delta-4 fatty acid desaturase 0.0155 0.0215 0.0215
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0241 0.1 1
Onchocerca volvulus 0.123 0.9994 1
Leishmania major fatty-acid desaturase, putative 0.1231 1 1
Plasmodium falciparum stearoyl-CoA desaturase 0.1075 0.8585 0.5
Leishmania major cytochrome p450-like protein 0.0382 0.2278 0.2278
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3_2 0.0155 0.0215 0.0945
Plasmodium vivax stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative 0.1075 0.8585 0.5
Leishmania major fatty acid desaturase, putative 0.0155 0.0215 0.0215
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0 0.5
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0 0.5
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0155 0.0215 0.0945
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0241 0.1 1
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0241 0.1 1
Brugia malayi Cytochrome P450 family protein 0.0241 0.1 0.1165
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0155 0.0215 0.0215
Echinococcus multilocularis Fatty acid desaturase, type 1 0.0155 0.0215 0.0279
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0241 0.1 1
Loa Loa (eye worm) fatty acid desaturase 0.0155 0.0215 0.0251
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0241 0.1 0.4389
Brugia malayi Fatty acid desaturase family protein 0.0155 0.0215 0.0251
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0241 0.1 0.1
Mycobacterium tuberculosis Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f 0.0155 0.0215 0.2153
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0241 0.1 0.4389
Loa Loa (eye worm) cytochrome P450 family protein 0.0382 0.2278 0.2653
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0241 0.1 1
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0241 0.1 1
Brugia malayi Cytochrome P450 family protein 0.0382 0.2278 0.2653
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0241 0.1 1
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0241 0.1 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0382 0.2278 1
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0241 0.1 0.4389
Brugia malayi Cytochrome P450 family protein 0.0382 0.2278 0.2653
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0241 0.1 1
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0241 0.1 0.4389
Trypanosoma brucei fatty acid desaturase, putative 0.1231 1 1
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0241 0.1 0.4389
Trypanosoma cruzi fatty acid desaturase, putative 0.1076 0.8591 0.8591
Entamoeba histolytica phosphofructokinase, putative 0.0131 0 0.5
Entamoeba histolytica phosphofructokinase, putative 0.0131 0 0.5
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0241 0.1 0.4389
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0241 0.1 0.4389
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0241 0.1 0.1
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0241 0.1 0.1
Trypanosoma cruzi cytochrome b5-dependent oleate desaturase 0.0155 0.0215 0.0215
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0241 0.1 0.4389
Trypanosoma cruzi fatty acid desaturase, putative 0.1076 0.8591 0.8591
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0155 0.0215 0.2153
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0155 0.0215 0.0279
Loa Loa (eye worm) cytochrome P450 family protein 0.0382 0.2278 0.2653
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0241 0.1 1
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0241 0.1 1
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0241 0.1 0.4389
Trypanosoma brucei delta-4 fatty acid desaturase 0.0155 0.0215 0.0215
Mycobacterium leprae Conserved hypothetical protein 0.0241 0.1 1
Echinococcus granulosus cytochrome P450 2K1 0.0241 0.1 1
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0241 0.1 0.4389
Leishmania major cytochrome p450-like protein 0.0241 0.1 0.1
Mycobacterium ulcerans hypothetical protein 0.0156 0.0221 0.0969
Mycobacterium leprae putative cytochrome p450 0.0241 0.1 1
Leishmania major delta-12 fatty acid desaturase 0.0155 0.0215 0.0215
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0241 0.1 1
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0156 0.0221 0.0221
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0155 0.0215 0.0215
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0241 0.1 0.1
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0131 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0241 0.1 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0241 0.1 0.1
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0241 0.1 0.4389
Brugia malayi Delta5 fatty acid desaturase 0.0328 0.1788 0.2083
Trypanosoma cruzi fatty acid desaturase, putative 0.0155 0.0215 0.0215
Trypanosoma brucei cytochrome P450, putative 0.0382 0.2278 0.2278
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0241 0.1 0.4389
Trypanosoma brucei cytochrome b5-dependent oleate desaturase 0.0155 0.0215 0.0215
Loa Loa (eye worm) hypothetical protein 0.0141 0.0084 0.0098
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0155 0.0215 0.0279
Loa Loa (eye worm) FAT-3 protein 0.0328 0.1788 0.2083
Loa Loa (eye worm) cytochrome P450 family protein 0.081 0.6172 0.7189
Mycobacterium ulcerans hypothetical protein 0.0155 0.0215 0.0945
Echinococcus granulosus Sphingolipid delta4 desaturase DES1 0.0155 0.0215 0.2153
Loa Loa (eye worm) cytochrome P450 0.0241 0.1 0.1165
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0241 0.1 0.4389
Trypanosoma brucei delta-6 fatty acid desaturase, putative 0.0155 0.0215 0.0215
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.7713 1
Mycobacterium tuberculosis Probable conserved membrane protein 0.0156 0.0221 0.2209
Brugia malayi cytochrome P450 0.0241 0.1 0.1165
Trypanosoma cruzi sphingolipid delta 4 desaturase, putative 0.0155 0.0215 0.0215
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0241 0.1 0.4389
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0241 0.1 1
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0155 0.0215 0.0215
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0155 0.0215 0.0215
Brugia malayi acyl-CoA desaturase 0.1075 0.8585 1
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0 0.5
Brugia malayi Fatty acid desaturase family protein 0.0155 0.0215 0.0251
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0241 0.1 1
Loa Loa (eye worm) hypothetical protein 0.0328 0.1788 0.2083
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0241 0.1 0.4389
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0241 0.1 1
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0241 0.1 0.4389
Loa Loa (eye worm) fatty acid desaturase 0.0155 0.0215 0.0251
Trypanosoma cruzi fatty acid desaturase, putative 0.0155 0.0215 0.0215
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0241 0.1 1
Echinococcus granulosus Fatty acid desaturase type 1 0.0155 0.0215 0.2153
Mycobacterium ulcerans electron transfer protein FdxB 0.0155 0.0215 0.0945
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0241 0.1 0.4389
Brugia malayi Cytochrome P450 family protein 0.081 0.6172 0.7189
Entamoeba histolytica phosphofructokinase, putative 0.0131 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.2213 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) 5.3582 uM PUBCHEM_BIOASSAY: Tb PFK orthogonal confirmatory assay using ATP depletion (Kinase-Glo Plus) as an alternative measure of Tb PFK activity: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768] ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 10.691 uM PUBCHEM_BIOASSAY: Inhibitors of T. brucei phosphofructokinase: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768] ChEMBL. No reference
Potency (functional) 13.4591 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 20.5962 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 Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 28.1838 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 (binding) = 35.4813 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] ChEMBL. No reference
Potency (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 79.4328 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

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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