Detailed information for compound 777465

Basic information

Technical information
  • TDR Targets ID: 777465
  • Name: 3-(2-chloro-6-fluorophenyl)-N-(3-fluoro-4-met hylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
  • MW: 362.758 | Formula: C18H13ClF2N2O2
  • H donors: 1 H acceptors: 2 LogP: 4.46 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1onc(c1C(=O)Nc1ccc(c(c1)F)C)c1c(F)cccc1Cl
  • InChi: 1S/C18H13ClF2N2O2/c1-9-6-7-11(8-14(9)21)22-18(24)15-10(2)25-23-17(15)16-12(19)4-3-5-13(16)20/h3-8H,1-2H3,(H,22,24)
  • InChiKey: SQTJRHRZARGCIW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(2-chloro-6-fluoro-phenyl)-N-(3-fluoro-4-methyl-phenyl)-5-methyl-isoxazole-4-carboxamide
  • 3-(2-chloro-6-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-4-isoxazolecarboxamide
  • 3-(2-chloro-6-fluoro-phenyl)-N-(3-fluoro-4-methyl-phenyl)-5-methyl-1,2-oxazole-4-carboxamide
  • Oprea1_656885
  • BAS 01923326
  • MLS000110803
  • SMR000106732
  • Oprea1_032774
  • ZINC00869320

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens calcium channel, voltage-dependent, T type, alpha 1H subunit Starlite/ChEMBL No references
Homo sapiens galactosidase, alpha Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 3 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129328 All targets in OG5_129328
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_129328 All targets in OG5_129328
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii melibiase subfamily protein Get druggable targets OG5_127620 All targets in OG5_127620
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Alpha-N-acetylgalactosaminidase precursor, putative Get druggable targets OG5_127620 All targets in OG5_127620
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum ko:K01204 alpha-N-acetylgalactosaminidase [EC3.2.1.49], putative Get druggable targets OG5_127620 All targets in OG5_127620
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis Alpha N acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Trichomonas vaginalis myo 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
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica myo-inositol monophosphatase, putative 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
Neospora caninum hypothetical protein 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
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog Get druggable targets OG5_129328 All targets in OG5_129328
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
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
Loa Loa (eye worm) inositol-1 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
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
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
Echinococcus multilocularis Glycoside hydrolase, family 27 Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus Alpha N acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Brugia malayi Melibiase family protein Get druggable targets OG5_127620 All targets in OG5_127620
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum expressed protein Get druggable targets OG5_127620 All targets in OG5_127620
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 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
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
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 %
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 brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
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 300 aa 22.0 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
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 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0401 0.0429
Echinococcus granulosus geminin 0.0205 0.9355 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.545 0.5826
Schistosoma mansoni hypothetical protein 0.0205 0.9355 1
Loa Loa (eye worm) hypothetical protein 0.0218 1 1
Brugia malayi intermediate filament protein 0.0033 0.1054 0.1054
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0071 0.0076
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0071 0.0071
Echinococcus multilocularis musashi 0.0033 0.1054 0.1126
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0124 0.545 0.5826
Loa Loa (eye worm) intermediate filament protein 0.0033 0.1054 0.1054
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2387 0.2387
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0071 0.0071
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.1634 0.5
Brugia malayi Inositol-1 0.0045 0.1634 0.1634
Loa Loa (eye worm) hypothetical protein 0.0012 0.0071 0.0071
Echinococcus granulosus lamin 0.0033 0.1054 0.1126
Echinococcus multilocularis lamin dm0 0.0033 0.1054 0.1126
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0071 0.0071
Brugia malayi ecdysteroid receptor 0.0012 0.0071 0.0071
Echinococcus granulosus lamin dm0 0.0033 0.1054 0.1126
Toxoplasma gondii melibiase subfamily protein 0.0124 0.545 1
Loa Loa (eye worm) hypothetical protein 0.0214 0.9816 0.9816
Echinococcus multilocularis GPCR, family 2 0.0019 0.0401 0.0429
Loa Loa (eye worm) hypothetical protein 0.0033 0.1054 0.1054
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0401 0.0401
Echinococcus multilocularis lamin 0.0033 0.1054 0.1126
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0401 0.0429
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.1634 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0071 0.0071
Schistosoma mansoni coup transcription factor 0.0012 0.0071 0.0076
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.1054 0.1054
Schistosoma mansoni inositol monophosphatase 0.0045 0.1634 0.1747
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0071 0.0076
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 1 1
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0071 0.0076
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0071 0.0071
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0071 0.0076
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0082 0.3462 0.3701
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0071 0.0071
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0071 0.0071
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0071 0.0071
Loa Loa (eye worm) hypothetical protein 0.0012 0.0071 0.0071
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0071 0.0071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0071 0.0071
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0071 0.0071
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0071 0.0071
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.1634 0.1747
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0071 0.0076
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0071 0.0076
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0071 0.0076
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0018 0.0327 0.035
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0071 0.0076
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.1409 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0208 0.9533 1
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0082 0.3462 0.2314
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0071 0.0076
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0241 0.0257
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0071 0.0076
Loa Loa (eye worm) hypothetical protein 0.0019 0.0401 0.0401
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.1634 0.5
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.1409 0.5
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.1634 0.5
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.545 0.5826
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0071 0.0076
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0071 0.0071
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.1634 0.1747
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0071 0.0071
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0071 0.0076
Schistosoma mansoni hypothetical protein 0.0019 0.0401 0.0429
Brugia malayi nuclear receptor NHR-88 0.0012 0.0071 0.0071
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0241 0.0257
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0401 0.0429
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0071 0.0071
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0071 0.0071
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.1634 0.2999
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0071 0.0071
Loa Loa (eye worm) hypothetical protein 0.0082 0.3462 0.3462
Loa Loa (eye worm) hypothetical protein 0.0012 0.0071 0.0071
Brugia malayi Melibiase family protein 0.0082 0.3462 0.3462
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0071 0.0071
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0071 0.0076
Schistosoma mansoni lamin 0.0033 0.1054 0.1126
Schistosoma mansoni hypothetical protein 0.0019 0.0401 0.0429
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0324 0.0324
Loa Loa (eye worm) hypothetical protein 0.0041 0.1468 0.1468
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0071 0.0071
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0071 0.0076
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0214 0.9816 0.9816
Loa Loa (eye worm) hypothetical protein 0.0032 0.1025 0.1025
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0071 0.0076
Brugia malayi steroid hormone receptor 0.0012 0.0071 0.0071
Schistosoma mansoni inositol monophosphatase 0.0045 0.1634 0.1747
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.545 0.5826
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0071 0.0076
Loa Loa (eye worm) hypothetical protein 0.0012 0.0071 0.0071
Echinococcus multilocularis geminin 0.0205 0.9355 1
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0324 0.0324
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0071 0.0071
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0071 0.0076
Loa Loa (eye worm) hypothetical protein 0.006 0.2387 0.2387
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0124 0.545 0.5826
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0071 0.0076
Toxoplasma gondii Alpha-galactosidase 0.0018 0.0327 0.06
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0401 0.0401
Schistosoma mansoni hypothetical protein 0.0019 0.0401 0.0429
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0071 0.0076
Schistosoma mansoni lamin 0.0033 0.1054 0.1126
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0071 0.0071
Schistosoma mansoni hypothetical protein 0.0041 0.1468 0.1569
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0071 0.0071
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.545 0.5826
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0071 0.0076
Schistosoma mansoni hypothetical protein 0.0205 0.9355 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0071 0.0076
Loa Loa (eye worm) hypothetical protein 0.0012 0.0071 0.0071
Loa Loa (eye worm) hypothetical protein 0.0012 0.0071 0.0071
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0071 0.0076
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0401 0.0401
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0071 0.0076
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0082 0.3462 0.3701
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0071 0.0076
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0071 0.0071
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0071 0.0076
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.1634 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0071 0.0071
Echinococcus granulosus GPCR family 2 0.0019 0.0401 0.0429
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2387 0.2387
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0071 0.0076
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0124 0.545 0.5826
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2387 0.2387
Brugia malayi nuclear hormone receptor 0.0012 0.0071 0.0071
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0071 0.0076
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1468 0.1468
Echinococcus granulosus intermediate filament protein 0.0033 0.1054 0.1126
Loa Loa (eye worm) hypothetical protein 0.0015 0.0212 0.0212
Loa Loa (eye worm) inositol-1 0.0045 0.1634 0.1634
Onchocerca volvulus 0.0033 0.1054 0.1054
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0071 0.0076
Schistosoma mansoni hypothetical protein 0.0019 0.0401 0.0429
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.1634 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.0241 0.0241
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0071 0.0071
Loa Loa (eye worm) hypothetical protein 0.0012 0.0071 0.0071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0071 0.0071
Onchocerca volvulus 0.0012 0.0071 0.0071
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.1054 0.1054
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0401 0.0429
Loa Loa (eye worm) hypothetical protein 0.0015 0.0212 0.0212
Schistosoma mansoni intermediate filament proteins 0.0033 0.1054 0.1126
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0071 0.0076
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0071 0.0071
Onchocerca volvulus 0.0033 0.1054 0.1054
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0071 0.0076
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.1634 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0071 0.0071

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 5.69 uM PUBCHEM_BIOASSAY: Inhibitors of T-Type Calcium Channel. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID449739, AID463087, AID493021, AID493022, AID493023, AID493041, AID504579, AID504584, AID504619, AID504628] ChEMBL. No reference
Potency (functional) 0.4467 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) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Galactosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1472, 1467 ] ChEMBL. No reference
Potency (functional) 3.5481 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) 3.9811 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.1962 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) 9.285 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 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.3225 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 (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 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) = 25.1189 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) 35.4813 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying a Potential Treatment of Ataxia-Telangiectasia. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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
Potency (functional) 100 uM PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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.

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