Detailed information for compound 1434909

Basic information

Technical information
  • TDR Targets ID: 1434909
  • Name: 6-(dimethylsulfamoyl)-1-ethyl-N-[2-(methyl-(2 -phenylethyl)amino)ethyl]-4-oxoquinoline-3-ca rboxamide
  • MW: 484.611 | Formula: C25H32N4O4S
  • H donors: 1 H acceptors: 4 LogP: 3.24 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1cc(C(=O)NCCN(CCc2ccccc2)C)c(=O)c2c1ccc(c2)S(=O)(=O)N(C)C
  • InChi: 1S/C25H32N4O4S/c1-5-29-18-22(24(30)21-17-20(11-12-23(21)29)34(32,33)27(2)3)25(31)26-14-16-28(4)15-13-19-9-7-6-8-10-19/h6-12,17-18H,5,13-16H2,1-4H3,(H,26,31)
  • InChiKey: OUMISMNMRVPHEV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-(dimethylsulfamoyl)-1-ethyl-N-[2-(methyl-(2-phenylethyl)amino)ethyl]-4-oxo-quinoline-3-carboxamide
  • 6-(dimethylsulfamoyl)-1-ethyl-N-[2-(methyl-(2-phenylethyl)amino)ethyl]-4-oxo-3-quinolinecarboxamide
  • 6-(dimethylsulfamoyl)-1-ethyl-4-keto-N-[2-(methyl-(2-phenylethyl)amino)ethyl]quinoline-3-carboxamide
  • SMR000030666
  • MLS000877099
  • 6-[(dimethylamino)sulfonyl]-1-ethyl-N-{2-[methyl(2-phenylethyl)amino]ethyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide
  • MLS000095112

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0012 0.0822 0.0822
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0822 0.0822
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0822 0.0822
Brugia malayi TAR-binding protein 0.0076 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0822 0.0822
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0822 0.0822
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.9547 0.9547
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0822 0.0822
Loa Loa (eye worm) hypothetical protein 0.0012 0.0822 0.0822
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.5455 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0822 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0822 0.0822
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0822 0.0822
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0822 0.0822
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0822 0.0822
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.5455 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0822 0.0822
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0822 0.0822
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0822 0.0822
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.9547 0.9547
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.5455 0.5
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.5455 0.5455
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.5455 0.5455
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.9547 0.9547
Loa Loa (eye worm) hypothetical protein 0.0012 0.0822 0.0822
Echinococcus multilocularis tar DNA binding protein 0.0076 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0822 0.0822
Schistosoma mansoni coup transcription factor 0.0012 0.0822 0.0822
Loa Loa (eye worm) hypothetical protein 0.0012 0.0822 0.0822
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0822 0.0822
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0822 0.0822
Loa Loa (eye worm) hypothetical protein 0.0012 0.0822 0.0822
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.9547 1
Brugia malayi steroid hormone receptor 0.0012 0.0822 0.0822
Onchocerca volvulus 0.0012 0.0822 0.5
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0822 0.0822
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.9547 0.5
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.5455 0.5455
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0822 0.0822
Brugia malayi nuclear receptor NHR-88 0.0012 0.0822 0.0822
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0822 0.0822
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.5455 0.5
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.9547 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0822 0.0822
Loa Loa (eye worm) hypothetical protein 0.0045 0.5455 0.5455
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0822 0.0822
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0822 0.0822
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0822 0.0822
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0822 0.0822
Loa Loa (eye worm) TAR-binding protein 0.0076 1 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.5455 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0822 0.0822
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.5455 0.5
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.5455 0.5455
Loa Loa (eye worm) hypothetical protein 0.0012 0.0822 0.0822
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0822 0.0822
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0822 0.5
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.5455 0.5455
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0822 0.0822
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0822 0.0822
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0822 0.0822
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.9547 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0076 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0822 0.0822
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0822 0.0822
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.9547 0.9547
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0822 0.0822
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0822 0.0822
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0822 0.0822
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0822 0.0822
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0822 0.0822
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0822 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0822 0.0822
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0822 0.0822
Loa Loa (eye worm) RNA binding protein 0.0076 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0822 0.0822
Loa Loa (eye worm) hypothetical protein 0.0012 0.0822 0.0822
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.5455 0.5455
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.5455 0.5455
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0822 0.0822
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0822 0.0822
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0822 0.0822
Brugia malayi nuclear hormone receptor 0.0012 0.0822 0.0822
Loa Loa (eye worm) hypothetical protein 0.0012 0.0822 0.0822
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0822 0.0822
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0822 0.0822
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.9547 0.5
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.5455 0.5455
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0822 0.0822
Brugia malayi ecdysteroid receptor 0.0012 0.0822 0.0822
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0822 0.0822
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0822 0.0822
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.5455 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0822 0.0822
Echinococcus granulosus tar DNA binding protein 0.0076 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0822 0.0822
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0822 0.0822
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0822 0.0822
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.9547 0.5
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.5455 0.5455
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0822 0.0822
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0822 0.0822
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0822 0.0822
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.5455 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0822 0.0822

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 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) 3.6964 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) 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) 11.2202 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) 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.

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