Detailed information for compound 1233129

Basic information

Technical information
  • TDR Targets ID: 1233129
  • Name: STK275838
  • MW: 291.278 | Formula: C14H14FN3O3
  • H donors: 3 H acceptors: 3 LogP: 1.26 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)Nn1c(CCC(=O)O)ccc1c1ccc(cc1)F
  • InChi: 1S/C14H14FN3O3/c15-10-3-1-9(2-4-10)12-7-5-11(6-8-13(19)20)18(12)17-14(16)21/h1-5,7H,6,8H2,(H,19,20)(H3,16,17,21)
  • InChiKey: DHXHVNJAKSCNJD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • SMR000150922
  • MLS000571450

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0899 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0899 1 0.5
Schistosoma mansoni histamine h1 receptor 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Echinococcus granulosus g protein coupled receptor 0.0899 1 0.5
Echinococcus granulosus hypothetical protein 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0899 1 0.5
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0899 1 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0899 1 0.5
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0899 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0899 1 0.5
Brugia malayi ORL1-like opioid receptor 0.0899 1 0.5
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0899 1 0.5
Echinococcus granulosus peptide allatostatin:somatostatin 0.0899 1 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0899 1 0.5
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0899 1 0.5
Schistosoma mansoni neuropeptide receptor 0.0899 1 0.5
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0899 1 0.5
Schistosoma mansoni myosin xvIII 0.0899 1 0.5
Brugia malayi G-protein coupled receptor 0.0899 1 0.5
Mycobacterium leprae SECRETED ANTIGEN 85-C FBPC (85C) (ANTIGEN 85 COMPLEX C) (AG58C) (MYCOLYL TRANSFERASE 85C) (FIBRONECTIN-BINDING PROTEIN C) 0.083 0.9047 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0899 1 0.5
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0899 1 0.5
Echinococcus granulosus somatostatin receptor 0.0899 1 0.5
Brugia malayi Dopamine receptor protein 2 0.0899 1 0.5
Echinococcus multilocularis somatostatin receptor 0.0899 1 0.5
Brugia malayi larval opioid receptor 0.0899 1 0.5
Echinococcus granulosus g-protein coupled receptor 0.0899 1 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0899 1 0.5
Onchocerca volvulus 0.0899 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0899 1 0.5
Brugia malayi Melatonin receptor type 1A 0.0899 1 0.5
Schistosoma mansoni amine GPCR 0.0899 1 0.5
Brugia malayi sulfakinin receptor protein 0.0899 1 0.5
Echinococcus multilocularis neuropeptide receptor 0.0899 1 0.5
Schistosoma mansoni amine GPCR 0.0899 1 0.5
Echinococcus granulosus tachykinin peptides receptor 99D 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Schistosoma mansoni alpha-1 adrenergic receptor 0.0899 1 0.5
Onchocerca volvulus 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Schistosoma mansoni amine GPCR 0.0899 1 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0899 1 0.5
Echinococcus granulosus dro:myosuppressin receptor 0.0899 1 0.5
Echinococcus multilocularis sex peptide receptor 0.0899 1 0.5
Echinococcus granulosus G protein coupled receptor 139 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Schistosoma mansoni opsin-like receptor 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Onchocerca volvulus 0.0899 1 0.5
Brugia malayi G-protein coupled receptor 0.0899 1 0.5
Echinococcus granulosus g protein coupled receptor 0.0899 1 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0899 1 0.5
Brugia malayi hypothetical protein 0.0899 1 0.5
Echinococcus multilocularis g protein coupled receptor 0.0899 1 0.5
Onchocerca volvulus 0.0899 1 0.5
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0899 1 0.5
Echinococcus multilocularis neuropeptide receptor 0.0899 1 0.5
Echinococcus granulosus orexin receptor type 2 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Echinococcus granulosus alpha 1A adrenergic receptor 0.0899 1 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0899 1 0.5
Brugia malayi Dopamine receptor 0.0899 1 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0899 1 0.5
Brugia malayi hypothetical protein 0.0899 1 0.5
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0899 1 0.5
Brugia malayi GnHR receptor homolog 0.0899 1 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0899 1 0.5
Schistosoma mansoni hypothetical protein 0.0899 1 0.5
Onchocerca volvulus 0.0899 1 0.5
Echinococcus granulosus 7tm_1 domain containing protein 0.0899 1 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.2644 1
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Brugia malayi hypothetical protein 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0899 1 0.5
Schistosoma mansoni opsin-like receptor 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Brugia malayi putative neuropeptide receptor 0.0899 1 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.2644 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0899 1 0.5
Echinococcus multilocularis dro:myosuppressin receptor 0.0899 1 0.5
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.2644 1
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.2644 1
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0899 1 0.5
Brugia malayi Serotonin receptor 0.0899 1 0.5
Echinococcus granulosus neuropeptide receptor 0.0899 1 0.5
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0899 1 0.5
Echinococcus granulosus fmrfamide receptor 0.0899 1 0.5
Brugia malayi hypothetical protein 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Echinococcus multilocularis g protein coupled receptor 0.0899 1 0.5
Echinococcus multilocularis G-protein coupled receptor, putative 0.0899 1 0.5
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0899 1 0.5
Schistosoma mansoni biogenic amine receptor 0.0899 1 0.5
Echinococcus multilocularis G protein coupled receptor 139 0.0899 1 0.5
Schistosoma mansoni neuropeptide receptor 0.0899 1 0.5
Brugia malayi hypothetical protein 0.0899 1 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0899 1 0.5
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0899 1 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0899 1 0.5
Onchocerca volvulus 0.0899 1 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0899 1 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0899 1 0.5
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0899 1 0.5
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0899 1 0.5
Brugia malayi Tachykinin-like peptides receptor 99D 0.0899 1 0.5
Echinococcus granulosus neuropeptide FF receptor 2 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0899 1 0.5
Schistosoma mansoni neuropeptide f receptor 76f 0.0899 1 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0899 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0899 1 0.5
Onchocerca volvulus 0.0899 1 0.5
Schistosoma mansoni neuropeptide receptor 0.0899 1 0.5
Brugia malayi follicle stimulating hormone receptor 0.0899 1 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0899 1 0.5
Brugia malayi neuropeptide F receptor 0.0899 1 0.5
Brugia malayi AKH receptor 0.0899 1 0.5
Schistosoma mansoni biogenic amine receptor 0.0899 1 0.5
Brugia malayi Dopamine receptor protein 1 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Schistosoma mansoni hypothetical protein 0.0899 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0899 1 0.5
Echinococcus granulosus sex peptide receptor 0.0899 1 0.5
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0899 1 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0899 1 0.5
Onchocerca volvulus 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0899 1 0.5
Brugia malayi G protein-coupled receptor F59B2.13 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.0899 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0899 1 0.5
Echinococcus multilocularis g protein coupled receptor 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Echinococcus granulosus allatostatin A receptor 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0899 1 0.5
Onchocerca volvulus 0.0899 1 0.5
Echinococcus multilocularis orexin receptor type 2 0.0899 1 0.5
Schistosoma mansoni biogenic amine receptor 0.0899 1 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0899 1 0.5
Brugia malayi hypothetical protein 0.0899 1 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0899 1 0.5
Brugia malayi hypothetical protein 0.0899 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0899 1 0.5
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0899 1 0.5
Echinococcus multilocularis fmrfamide receptor 0.0899 1 0.5
Onchocerca volvulus 0.0899 1 0.5
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0899 1 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0899 1 0.5
Echinococcus multilocularis allatostatin A receptor 0.0899 1 0.5
Brugia malayi neuropeptide F receptor 0.0899 1 0.5
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0899 1 0.5
Onchocerca volvulus 0.0899 1 0.5
Schistosoma mansoni amine GPCR 0.0899 1 0.5
Brugia malayi Serotonin receptor 0.0899 1 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0899 1 0.5
Mycobacterium ulcerans secreted antigen 85-C FbpC 0.083 0.9047 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0899 1 0.5
Schistosoma mansoni growth hormone secretagogue receptor 0.0899 1 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0899 1 0.5
Echinococcus granulosus neuropeptide s receptor 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0899 1 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.0899 1 0.5
Onchocerca volvulus 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Onchocerca volvulus 0.0899 1 0.5
Onchocerca volvulus 0.0899 1 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0899 1 0.5
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0899 1 0.5
Echinococcus multilocularis serotonin receptor 0.0899 1 0.5
Brugia malayi hypothetical protein 0.0899 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0899 1 0.5
Onchocerca volvulus 0.0899 1 0.5
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0899 1 0.5
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0899 1 0.5
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0899 1 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0899 1 0.5
Brugia malayi RE15519p 0.0899 1 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0899 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0899 1 0.5
Schistosoma mansoni neuropeptide receptor 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Echinococcus multilocularis fmrfamide receptor 0.0899 1 0.5
Brugia malayi putative neuropeptide receptor NPR1 0.0899 1 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0899 1 0.5
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0899 1 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0899 1 0.5
Schistosoma mansoni adenoreceptor 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Echinococcus granulosus g protein coupled receptor 0.0899 1 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Brugia malayi G protein-coupled receptor 0.0899 1 0.5
Onchocerca volvulus 0.0899 1 0.5
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Loa Loa (eye worm) TYRA-2 protein 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0899 1 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Schistosoma mansoni amine GPCR 0.0899 1 0.5
Brugia malayi hypothetical protein 0.0899 1 0.5
Echinococcus multilocularis g-protein coupled receptor 0.0899 1 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0899 1 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0899 1 0.5
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0899 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0899 1 0.5
Echinococcus granulosus neuropeptide receptor 0.0899 1 0.5
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0899 1 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0899 1 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0899 1 0.5
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0899 1 0.5
Schistosoma mansoni hypothetical protein 0.0899 1 0.5
Echinococcus granulosus 7TM GPCR rhodopsin 0.0899 1 0.5
Loa Loa (eye worm) melatonin receptor type 1A 0.0899 1 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0899 1 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0899 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0899 1 0.5
Echinococcus granulosus serotonin receptor 0.0899 1 0.5
Schistosoma mansoni opsin-like receptor 0.0899 1 0.5
Echinococcus granulosus neuropeptide receptor A26 0.0899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0899 1 0.5
Onchocerca volvulus 0.0899 1 0.5
Schistosoma mansoni hypothetical protein 0.0899 1 0.5
Mycobacterium tuberculosis Secreted antigen 85-C FbpC (85C) (antigen 85 complex C) (AG58C) (mycolyl transferase 85C) (fibronectin-binding protein C) 0.083 0.9047 1
Loa Loa (eye worm) hypothetical protein 0.0899 1 0.5
Echinococcus multilocularis serotonin receptor 0.0899 1 0.5

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 23.7558 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: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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