Detailed information for compound 1091833

Basic information

Technical information
  • TDR Targets ID: 1091833
  • Name: 1-[3-(4-bromo-2-methylpyrazol-3-yl)phenyl]-3- (4-chlorophenyl)urea
  • MW: 405.676 | Formula: C17H14BrClN4O
  • H donors: 2 H acceptors: 2 LogP: 3.78 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)Cl)Nc1cccc(c1)c1c(Br)cnn1C
  • InChi: 1S/C17H14BrClN4O/c1-23-16(15(18)10-20-23)11-3-2-4-14(9-11)22-17(24)21-13-7-5-12(19)6-8-13/h2-10H,1H3,(H2,21,22,24)
  • InChiKey: MGQBRTUTEMOGLZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[3-(4-bromo-2-methyl-pyrazol-3-yl)phenyl]-3-(4-chlorophenyl)urea
  • 1-[3-(4-bromo-2-methyl-3-pyrazolyl)phenyl]-3-(4-chlorophenyl)urea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.2992 0.2992
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0248 0.0248
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.3378 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0852 0.0852
Schistosoma mansoni intermediate filament proteins 0.0029 0.1159 0.3365
Schistosoma mansoni ap endonuclease 0.0018 0.0248 0.0642
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0852 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.1159 0.1159
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.3378 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0054 0.3378 1
Leishmania major hypothetical protein, conserved 0.0025 0.0852 0.1931
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.1159 0.1159
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0248 0.0642
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0852 0.1931
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.1623 0.1623
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.3378 1
Schistosoma mansoni serine/threonine protein kinase 0.0054 0.3378 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0248 0.0642
Onchocerca volvulus Huntingtin homolog 0.0131 1 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0054 0.3378 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0054 0.3378 1
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0033 0.0033
Schistosoma mansoni hypothetical protein 0.0034 0.1623 0.4752
Brugia malayi hypothetical protein 0.0016 0.0076 0.0076
Brugia malayi intermediate filament protein 0.0029 0.1159 0.1159
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0248 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0852 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0248 0.0248
Loa Loa (eye worm) hypothetical protein 0.0028 0.1113 0.1113
Loa Loa (eye worm) intermediate filament protein 0.0029 0.1159 0.1159
Loa Loa (eye worm) hypothetical protein 0.0016 0.0033 0.0033
Echinococcus granulosus mitogen activated protein kinase 3 0.0054 0.3378 1
Echinococcus granulosus lamin dm0 0.0029 0.1159 0.3365
Echinococcus multilocularis lamin 0.0029 0.1159 0.3365
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0054 0.3378 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0033 0.0033
Schistosoma mansoni ap endonuclease 0.0018 0.0248 0.0642
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0852 1
Echinococcus granulosus mitogen activated protein kinase 0.0054 0.3378 1
Brugia malayi hypothetical protein 0.0025 0.0852 0.0852
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.3378 1
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0852 0.1931
Echinococcus granulosus intermediate filament protein 0.0029 0.1159 0.3365
Echinococcus multilocularis mitogen activated protein kinase 0.0054 0.3378 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.2992 0.2992
Echinococcus multilocularis mitogen activated protein kinase 3 0.0054 0.3378 1
Schistosoma mansoni lamin 0.0029 0.1159 0.3365
Giardia lamblia Kinase, CMGC MAPK 0.0054 0.3378 1
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0852 0.1931
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0054 0.3378 1
Echinococcus multilocularis musashi 0.0029 0.1159 0.3365
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0054 0.3378 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0248 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 1 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0033 0.0033
Loa Loa (eye worm) hypothetical protein 0.005 0.2992 0.2992
Loa Loa (eye worm) hypothetical protein 0.0034 0.1623 0.1623
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0248 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.3378 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.2992 0.2992
Loa Loa (eye worm) hypothetical protein 0.0131 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.3378 1
Onchocerca volvulus Huntingtin homolog 0.0131 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0852 0.1931
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0248 0.5
Echinococcus multilocularis lamin dm0 0.0029 0.1159 0.3365
Schistosoma mansoni lamin 0.0029 0.1159 0.3365
Brugia malayi MAP kinase sur-1 0.0054 0.3378 0.3378
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0054 0.3378 0.3378
Trypanosoma brucei protein kinase, putative 0.0054 0.3378 1
Echinococcus granulosus lamin 0.0029 0.1159 0.3365
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.1159 0.1159
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0248 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 19 nM Activity at human 5HT2A receptor expressed in HEK293 cells assessed as [3H]inositol phosphate production by scintillation counting ChEMBL. 20143782

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

1 literature reference was collected for this gene.

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