Detailed information for compound 709014

Basic information

Technical information
  • TDR Targets ID: 709014
  • Name: 3-(5-bromopyridin-2-yl)-1-(2-methoxy-5-methyl phenyl)urea
  • MW: 336.184 | Formula: C14H14BrN3O2
  • H donors: 2 H acceptors: 2 LogP: 2.78 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)Nc1ccc(cn1)Br)C
  • InChi: 1S/C14H14BrN3O2/c1-9-3-5-12(20-2)11(7-9)17-14(19)18-13-6-4-10(15)8-16-13/h3-8H,1-2H3,(H2,16,17,18,19)
  • InChiKey: YQLUTFOWIIIASF-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(5-bromo-2-pyridyl)-1-(2-methoxy-5-methyl-phenyl)urea
  • 3-(5-bromo-2-pyridyl)-1-(2-methoxy-5-methylphenyl)urea
  • 3-(5-bromopyridin-2-yl)-1-(2-methoxy-5-methyl-phenyl)urea
  • ZINC00610702
  • IVK/1636921
  • MLS000537636
  • N-(5-bromo-2-pyridinyl)-N'-(2-methoxy-5-methylphenyl)urea
  • SMR000143878

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
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 ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
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
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.1036 0.1036
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.3348 0.3432
Brugia malayi nuclear hormone receptor 0.0012 0.1036 0.1036
Giardia lamblia DINP protein human, muc B family 0.0023 0.3348 1
Echinococcus multilocularis dna polymerase kappa 0.0023 0.3348 0.258
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.3348 0.3432
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.3348 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.6408 0.6568
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.3348 0.3432
Loa Loa (eye worm) hypothetical protein 0.0012 0.1036 0.1036
Loa Loa (eye worm) hypothetical protein 0.0054 0.9756 0.9756
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.3348 0.5
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.3348 0.5
Schistosoma mansoni thyroid hormone receptor 0.0012 0.1036 0.1036
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.3348 0.3432
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.1036 0.1036
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.1036 0.1036
Schistosoma mansoni coup transcription factor 0.0012 0.1036 0.1036
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.3348 0.3348
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.1036 0.1036
Echinococcus multilocularis dna polymerase eta 0.0054 0.9756 0.9728
Loa Loa (eye worm) hypothetical protein 0.0012 0.1036 0.1036
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.1036 0.1036
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.1036 0.1036
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.1036 0.1036
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.3348 0.5
Trypanosoma brucei unspecified product 0.0016 0.1841 0.1887
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.3348 0.258
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.3348 0.3432
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.3348 0.3432
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.1841 0.1887
Leishmania major DNA polymerase kappa, putative 0.0023 0.3348 0.3432
Leishmania major DNA polymerase eta, putative 0.0038 0.6408 0.6568
Loa Loa (eye worm) hypothetical protein 0.0012 0.1036 0.1036
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.6408 1
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.3348 0.3348
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.3348 1
Schistosoma mansoni nuclear hormone receptor 0.0012 0.1036 0.1036
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.1036 0.1036
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.1036 0.1036
Plasmodium vivax DNA repair protein REV1, putative 0.0007 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.1036 0.1036
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.3348 0.3432
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.1036 0.1036
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.9756 0.9756
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.9756 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.1036 0.1036
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.1036 0.1036
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 1 1
Echinococcus granulosus dna polymerase kappa 0.0023 0.3348 0.258
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.1841 0.1887
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.1036 0.1036
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.1036 0.1036
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.1036 0.1036
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 1 1
Schistosoma mansoni DNA polymerase eta 0.0054 0.9756 0.9756
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.3348 0.3432
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.1036 0.1036
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.1036 0.1036
Trypanosoma brucei unspecified product 0.0023 0.3348 0.3432
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.3348 0.3432
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.1036 0.1036
Trypanosoma brucei unspecified product 0.0016 0.1841 0.1887
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-25 0.0012 0.1036 0.1036
Onchocerca volvulus 0.0012 0.1036 0.5
Plasmodium falciparum DNA repair protein REV1, putative 0.0007 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.1036 0.1036
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 1 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.3348 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.3348 0.3432
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.3348 0.3348
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.1036 0.1036
Loa Loa (eye worm) hypothetical protein 0.0012 0.1036 0.1036
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.3348 0.3432
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.1036 0.1036
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.1841 0.1887
Leishmania major DNA polymerase eta, putative 0.0054 0.9756 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.3348 0.3432
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.1036 0.1036
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.3348 0.3432
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.1036 0.1036
Loa Loa (eye worm) hypothetical protein 0.0012 0.1036 0.1036
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.1036 0.1036
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.1036 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.1036 0.1036
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.3348 0.3432
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.3348 0.3432
Brugia malayi nuclear receptor NHR-88 0.0012 0.1036 0.1036
Brugia malayi ecdysteroid receptor 0.0012 0.1036 0.1036
Loa Loa (eye worm) hypothetical protein 0.0012 0.1036 0.1036
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.3348 0.258
Echinococcus granulosus dna polymerase eta 0.0054 0.9756 0.9728
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.3348 0.3348
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.1036 0.1036
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.9756 1
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.1036 0.1036
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.3348 0.3432
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.1036 0.1036
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.1036 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.1036 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.1036 0.1036
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.3348 0.3432
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.1036 0.1036
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.1036 0.1036
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.1036 0.1036
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.3348 1
Brugia malayi steroid hormone receptor 0.0012 0.1036 0.1036
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.1036 0.1036
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.3348 0.3432
Schistosoma mansoni thyroid hormone receptor 0.0012 0.1036 0.1036

Activities

Activity type Activity value Assay description Source Reference
Activity > 40 um PUBCHEM_BIOASSAY: Late stage results from the probe development effort to identify inhibitors of the Janus kinase 2 mutant JAK2V617F. (Class of assay: screening) [Related pubchem assays (depositor defined):AID1446, AID1486, AID1520, AID1521, AID1691, AID1699, AID1797] Panel member name: irf1 Inhibition (HEL cells) ChEMBL. No reference
Activity > 40 um PUBCHEM_BIOASSAY: Late stage results from the probe development effort to identify inhibitors of the Janus kinase 2 mutant JAK2V617F. (Class of assay: screening) [Related pubchem assays (depositor defined):AID1446, AID1486, AID1520, AID1521, AID1691, AID1699, AID1797] Panel member name: JAK2V617F Inhibition ChEMBL. No reference
Potency (functional) 0.4147 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) 0.8913 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) = 10 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 for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) 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

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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