Detailed information for compound 778512

Basic information

Technical information
  • TDR Targets ID: 778512
  • Name: 2-[4-(methoxymethyl)-6-oxo-3H-pyrimidin-2-yl] -1-[4-(phenoxy)phenyl]guanidine
  • MW: 365.386 | Formula: C19H19N5O3
  • H donors: 3 H acceptors: 3 LogP: 2.17 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCc1nc(N=C(Nc2ccc(cc2)Oc2ccccc2)N)nc(c1)O
  • InChi: 1S/C19H19N5O3/c1-26-12-14-11-17(25)23-19(22-14)24-18(20)21-13-7-9-16(10-8-13)27-15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H4,20,21,22,23,24,25)
  • InChiKey: HEIUVWXGUHFISP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-keto-6-(methoxymethyl)-1H-pyrimidin-2-yl]-1-[4-(phenoxy)phenyl]guanidine
  • ZINC04116387
  • MLS000087943
  • STK133298
  • SMR000072133
  • N-[6-(methoxymethyl)-4-oxo-1,4-dihydro-2-pyrimidinyl]-N''-(4-phenoxyphenyl)guanidine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 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
Schistosoma japonicum hypothetical protein 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 granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing 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 congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin 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
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical 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
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 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 ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed 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
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
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
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.118 0.118
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.7831 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.118 0.118
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.118 0.118
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.118 0.118
Echinococcus granulosus intermediate filament protein 0.0033 0.5353 0.5353
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.118 0.118
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 1 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.5353 0.5353
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.118 0.118
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.7831 0.7831
Loa Loa (eye worm) hypothetical protein 0.0015 0.1778 0.1778
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.7831 0.5
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.7831 0.7831
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.118 0.118
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.118 0.118
Loa Loa (eye worm) hypothetical protein 0.0012 0.118 0.118
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.118 0.118
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.118 0.118
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.7831 0.7831
Loa Loa (eye worm) hypothetical protein 0.0012 0.118 0.118
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.118 0.118
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.118 0.118
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.118 0.118
Schistosoma mansoni lamin 0.0033 0.5353 0.5353
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.118 0.118
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.7831 0.5
Schistosoma mansoni lamin 0.0033 0.5353 0.5353
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.7831 0.7831
Echinococcus multilocularis lamin 0.0033 0.5353 0.5353
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.7831 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.118 0.118
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.5353 0.5353
Schistosoma mansoni thyroid hormone receptor 0.0012 0.118 0.118
Brugia malayi intermediate filament protein 0.0033 0.5353 0.5353
Loa Loa (eye worm) hypothetical protein 0.0012 0.118 0.118
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.118 0.118
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.7831 0.7831
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.7831 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.118 0.118
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.118 0.118
Loa Loa (eye worm) hypothetical protein 0.0012 0.118 0.118
Loa Loa (eye worm) hypothetical protein 0.0032 0.5231 0.5231
Onchocerca volvulus 0.0033 0.5353 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.118 0.118
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.118 0.118
Schistosoma mansoni thyroid hormone receptor 0.0012 0.118 0.118
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.7831 0.7831
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 1 1
Schistosoma mansoni coup transcription factor 0.0012 0.118 0.118
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.118 0.118
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.118 0.118
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.118 0.118
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.118 0.118
Loa Loa (eye worm) hypothetical protein 0.0015 0.1778 0.1778
Loa Loa (eye worm) hypothetical protein 0.0012 0.118 0.118
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.118 0.118
Brugia malayi steroid hormone receptor 0.0012 0.118 0.118
Echinococcus multilocularis lamin dm0 0.0033 0.5353 0.5353
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.7831 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.118 0.118
Echinococcus granulosus lamin dm0 0.0033 0.5353 0.5353
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 1 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.5353 0.5353
Loa Loa (eye worm) hypothetical protein 0.0016 0.19 0.19
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.118 0.118
Brugia malayi nuclear hormone receptor 0.0012 0.118 0.118
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.118 0.118
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.118 0.118
Echinococcus granulosus lamin 0.0033 0.5353 0.5353
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.118 0.118
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.118 0.118
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.118 0.118
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.118 0.118
Loa Loa (eye worm) hypothetical protein 0.0045 0.7831 0.7831
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.7831 0.7831
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.118 0.118
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.118 0.118
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.118 0.118
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.118 0.118
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.118 0.118
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.2254 0.2254
Brugia malayi nuclear receptor NHR-88 0.0012 0.118 0.118
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.7831 0.7831
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.118 0.118
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.118 0.118
Schistosoma mansoni intermediate filament proteins 0.0033 0.5353 0.5353
Echinococcus granulosus FTZ F1 alpha 0.0012 0.118 0.118
Onchocerca volvulus 0.0033 0.5353 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.118 0.118
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.118 0.118
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.19 0.19
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.118 0.118
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.19 0.19
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.7831 0.5
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.7831 0.5
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.2254 0.2254
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.118 0.118
Brugia malayi ecdysteroid receptor 0.0012 0.118 0.118
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.118 0.118
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.118 0.118
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 1 1
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.7831 0.7831
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.118 0.118
Loa Loa (eye worm) hypothetical protein 0.0012 0.118 0.118
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.118 0.118
Loa Loa (eye worm) hypothetical protein 0.0012 0.118 0.118
Loa Loa (eye worm) hypothetical protein 0.0033 0.5353 0.5353
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.118 0.118
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.118 0.118
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.7831 0.5
Schistosoma mansoni nuclear hormone receptor 0.0012 0.118 0.118
Echinococcus multilocularis musashi 0.0033 0.5353 0.5353
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.118 0.118

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.01 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 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) 23.1093 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) = 28.1838 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 for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 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) = 39.8107 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

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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