Detailed information for compound 1402803

Basic information

Technical information
  • TDR Targets ID: 1402803
  • Name: propan-2-yl 2-[4-[(2,4-dimethylphenyl)sulfony lamino]-1-hydroxynaphthalen-2-yl]-4,4,4-trifl uoro-3-oxobutanoate
  • MW: 523.521 | Formula: C25H24F3NO6S
  • H donors: 2 H acceptors: 5 LogP: 5.73 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(OC(=O)C(C(=O)C(F)(F)F)c1cc(NS(=O)(=O)c2ccc(cc2C)C)c2c(c1O)cccc2)C
  • InChi: 1S/C25H24F3NO6S/c1-13(2)35-24(32)21(23(31)25(26,27)28)18-12-19(16-7-5-6-8-17(16)22(18)30)29-36(33,34)20-10-9-14(3)11-15(20)4/h5-13,21,29-30H,1-4H3
  • InChiKey: PCUXRYBEDDOJPT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • isopropyl 2-[4-[(2,4-dimethylphenyl)sulfonylamino]-1-hydroxy-2-naphthyl]-4,4,4-trifluoro-3-oxo-butanoate
  • 2-[4-[(2,4-dimethylphenyl)sulfonylamino]-1-hydroxy-2-naphthyl]-4,4,4-trifluoro-3-oxobutanoic acid isopropyl ester
  • 2-[4-[(2,4-dimethylphenyl)sulfonylamino]-1-hydroxy-2-naphthyl]-4,4,4-trifluoro-3-keto-butyric acid isopropyl ester
  • propan-2-yl 2-[4-[(2,4-dimethylphenyl)sulfonylamino]-1-hydroxy-naphthalen-2-yl]-4,4,4-trifluoro-3-oxo-butanoate
  • EU-0011298
  • MLS000696957
  • SMR000237743

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens kelch-like ECH-associated protein 1 No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum Kelch-like ECH-associated protein 1, putative Get druggable targets OG5_134673 All targets in OG5_134673
Schistosoma japonicum ko:K10456 kelch-like protein 19, putative Get druggable targets OG5_134673 All targets in OG5_134673
Echinococcus multilocularis kelch ECH associated protein 1 Get druggable targets OG5_134673 All targets in OG5_134673
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus multilocularis kelch ECH associated protein 1 Get druggable targets OG5_134673 All targets in OG5_134673
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus granulosus kelch ECH associated protein 1 like Get druggable targets OG5_134673 All targets in OG5_134673
Echinococcus granulosus kelch ECH associated protein 1 like Get druggable targets OG5_134673 All targets in OG5_134673
Echinococcus granulosus kelch ECH associated protein 1 Get druggable targets OG5_134673 All targets in OG5_134673
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus multilocularis Kelch repeat type 1 Get druggable targets OG5_134673 All targets in OG5_134673
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134673 All targets in OG5_134673
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi Kelch motif family protein kelch-like ECH-associated protein 1 624 aa 565 aa 31.1 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0232 0.2003 1
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0193 0.1587 0.1783
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0232 0.2003 0.1922
Loa Loa (eye worm) TATA binding protein associated factor 0.0089 0.0474 0.0707
Entamoeba histolytica aminopeptidase, putative 0.0232 0.2003 0.5
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0131 0.0924 1
Brugia malayi Peptidase family M1 containing protein 0.0232 0.2003 0.2458
Brugia malayi hypothetical protein 0.0089 0.0474 0.0418
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0089 0.0474 0.5
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0261 0.2313 0.2235
Echinococcus multilocularis aminopeptidase N 0.076 0.7657 0.7633
Schistosoma mansoni glutaminase 0.033 0.305 0.3538
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0232 0.2003 1
Onchocerca volvulus 0.0089 0.0474 0.0494
Loa Loa (eye worm) hypothetical protein 0.01 0.0592 0.0884
Loa Loa (eye worm) hypothetical protein 0.0143 0.1045 0.156
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0089 0.0474 0.0448
Loa Loa (eye worm) glutaminase 0.033 0.305 0.4553
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0232 0.2003 0.1922
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.5495 0.647
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0232 0.2003 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0143 0.1045 0.0955
Onchocerca volvulus 0.0232 0.2003 0.2518
Loa Loa (eye worm) hypothetical protein 0.0148 0.11 0.1642
Brugia malayi hypothetical protein 0.0104 0.0629 0.0625
Loa Loa (eye worm) glutaminase 2 0.033 0.305 0.4553
Onchocerca volvulus Huntingtin homolog 0.0148 0.11 0.1323
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0232 0.2003 0.1922
Schistosoma mansoni aminopeptidase A (M01 family) 0.0089 0.0474 0.0448
Echinococcus granulosus microtubule associated protein 2 0.0833 0.8438 1
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0261 0.2313 0.2654
Echinococcus granulosus kelch ECH associated protein 1 like 0.0114 0.0737 0.0764
Mycobacterium ulcerans aminopeptidase N PepN 0.0232 0.2003 0.5936
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0232 0.2003 0.5936
Echinococcus multilocularis kelch ECH associated protein 1 0.0114 0.0737 0.0643
Echinococcus granulosus leukotriene A 4 hydrolase 0.0193 0.1587 0.1783
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0194 0.1596 0.7339
Loa Loa (eye worm) hypothetical protein 0.0089 0.0474 0.0707
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0194 0.1596 0.1511
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0232 0.2003 0.2282
Echinococcus multilocularis Kelch repeat type 1 0.0114 0.0741 0.0647
Echinococcus granulosus aminopeptidase N 0.076 0.7657 0.9063
Brugia malayi hypothetical protein 0.01 0.0592 0.0575
Brugia malayi hypothetical protein 0.0232 0.2003 0.2458
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0232 0.2003 0.2282
Loa Loa (eye worm) aminopeptidase N 0.0232 0.2003 0.299
Brugia malayi glutaminase DH11.1 0.033 0.305 0.3855
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0089 0.0474 0.0448
Trypanosoma brucei Aminopeptidase M1, putative 0.0232 0.2003 1
Loa Loa (eye worm) peptidase family M1 containing protein 0.0618 0.6128 0.9147
Loa Loa (eye worm) hypothetical protein 0.0089 0.0474 0.0707
Mycobacterium ulcerans glutaminase 0.033 0.305 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.11 0.1642
Onchocerca volvulus 0.076 0.7657 1
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0194 0.1596 0.1794
Loa Loa (eye worm) hypothetical protein 0.0671 0.6699 1
Schistosoma mansoni hypothetical protein 0.0205 0.1707 0.1927
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.8438 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0232 0.2003 0.2282
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0194 0.1596 0.7339
Echinococcus granulosus kelch ECH associated protein 1 like 0.0114 0.0737 0.0764
Echinococcus granulosus neuropeptide s receptor 0.0558 0.5495 0.647
Loa Loa (eye worm) hypothetical protein 0.0094 0.052 0.0777
Loa Loa (eye worm) hypothetical protein 0.0089 0.0474 0.0707
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0143 0.1045 0.3737
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0089 0.0474 0.5
Loa Loa (eye worm) hypothetical protein 0.0528 0.517 0.7717
Brugia malayi Peptidase family M1 containing protein 0.0089 0.0474 0.0418
Loa Loa (eye worm) prolyl oligopeptidase 0.0261 0.2313 0.3453
Loa Loa (eye worm) hypothetical protein 0.006 0.0161 0.024
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0193 0.1587 0.1502
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0232 0.2003 0.2282
Loa Loa (eye worm) hypothetical protein 0.0143 0.1045 0.156
Onchocerca volvulus Huntingtin homolog 0.0148 0.11 0.1323
Echinococcus granulosus geminin 0.0205 0.1707 0.1927
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0089 0.0474 0.5
Brugia malayi hypothetical protein 0.0148 0.11 0.1253
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0232 0.2003 0.1922
Echinococcus multilocularis kelch ECH associated protein 1 0.0114 0.0737 0.0643
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0232 0.2003 0.5936
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0161 0.024
Trypanosoma cruzi aminopeptidase, putative 0.0232 0.2003 1
Brugia malayi prolyl oligopeptidase family protein 0.0261 0.2313 0.2872
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0232 0.2003 0.2282
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0261 0.2313 0.2654
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0143 0.1045 0.1134
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0232 0.2003 0.1922
Echinococcus granulosus Dipeptidyl peptidase 9 0.0194 0.1596 0.1794
Trypanosoma brucei Aminopeptidase M1, putative 0.0232 0.2003 1
Schistosoma mansoni hypothetical protein 0.0114 0.0741 0.0768
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.8438 0.8422
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0232 0.2003 0.2282
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0089 0.0474 0.5
Echinococcus multilocularis geminin 0.0205 0.1707 0.1623
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0232 0.2003 0.1922
Trichomonas vaginalis glutaminase, putative 0.033 0.305 1
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0261 0.2313 0.2929
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0232 0.2003 1
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.5495 0.5449
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0193 0.1587 0.2369
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0089 0.0474 0.0448
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0194 0.1596 0.7339
Schistosoma mansoni hypothetical protein 0.0205 0.1707 0.1927
Trypanosoma cruzi Aminopeptidase M1, putative 0.0232 0.2003 1
Brugia malayi TATA binding protein associated factor 0.0089 0.0474 0.0418
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0194 0.1596 0.7339
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0194 0.1596 0.7339
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.5495 0.5449
Brugia malayi prolyl oligopeptidase family protein 0.0194 0.1596 0.1915
Echinococcus granulosus kelch ECH associated protein 1 0.0114 0.0737 0.0764
Brugia malayi Peptidase family M1 containing protein 0.076 0.7657 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 2.67 uM PUBCHEM_BIOASSAY: Fluorescence polarization to screen for inhibitors that disrupt the protein-protein interaction between Keap1 and Nrf2 Measured in Biochemical System Using Plate Reader - 2119-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504540] ChEMBL. No reference
Max_Activity_Concent (functional) 50 uM PubChem BioAssay. Thermal shift assay to identify compound binding to Kelch domain of Keap1 protein Measured in Biochemical System Using RT-PCR - 2119-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
Max_Delta_Tm (binding) 38 uM PubChem BioAssay. Thermal shift assay to identify compound binding to Kelch domain of Keap1 protein Measured in Biochemical System Using RT-PCR - 2119-02_Inhibitor_Dose_DryPowder_Activity. (Class of assay: confirmatory) ChEMBL. No 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) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.9953 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) 13.1154 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) = 14.1254 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 16.3601 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 17.7828 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) 22.3872 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 25.1189 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) = 28.1838 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) 32.6427 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) 35.4813 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 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) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 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 WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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
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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