Detailed information for compound 434293

Basic information

Technical information
  • TDR Targets ID: 434293
  • Name: 4-bromo-3-[(2-chlorobenzoyl)amino]-N-phenyl-1 H-pyrazole-5-carboxamide
  • MW: 419.66 | Formula: C17H12BrClN4O2
  • H donors: 3 H acceptors: 3 LogP: 3.87 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1n[nH]c(c1Br)NC(=O)c1ccccc1Cl)Nc1ccccc1
  • InChi: 1S/C17H12BrClN4O2/c18-13-14(17(25)20-10-6-2-1-3-7-10)22-23-15(13)21-16(24)11-8-4-5-9-12(11)19/h1-9H,(H,20,25)(H2,21,22,23,24)
  • InChiKey: IUFFQTTYQLZJMY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-bromo-3-[[(2-chlorophenyl)-oxomethyl]amino]-N-phenyl-1H-pyrazole-5-carboxamide
  • 4-bromo-3-[(2-chlorophenyl)carbonylamino]-N-phenyl-1H-pyrazole-5-carboxamide
  • 4-bromo-5-[(2-chlorobenzoyl)amino]-N-phenyl-2H-pyrazole-3-carboxamide
  • 4-bromo-5-[[(2-chlorophenyl)-oxomethyl]amino]-N-phenyl-2H-pyrazole-3-carboxamide
  • 4-bromo-5-[(2-chlorophenyl)carbonylamino]-N-phenyl-2H-pyrazole-3-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bradykinin receptor B1 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
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0156 0.2861
Trichomonas vaginalis adenylate cyclase, type VII, putative 0.0015 0 0.5
Leishmania major telomerase reverse transcriptase, putative 0.036 0.2646 1
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0036 0.0158 0.2897
Brugia malayi hypothetical protein 0.0036 0.0156 0.0215
Entamoeba histolytica protein kinase, putative 0.0086 0.0544 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0026 0.0487
Loa Loa (eye worm) hypothetical protein 0.0036 0.0156 0.2861
Mycobacterium leprae Possible regulatory protein 0.0015 0 0.5
Brugia malayi Cytochrome P450 family protein 0.0019 0.0026 0.0037
Brugia malayi Cytochrome P450 family protein 0.0029 0.0103 0.0142
Leishmania major protein kinase, putative 0.0016 0.0003 0.0013
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0036 0.0158 0.0218
Loa Loa (eye worm) CYP4Cod1 0.0019 0.0026 0.0487
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0026 0.0487
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0086 0.0544 0.2057
Brugia malayi hypothetical protein 0.0035 0.015 0.0207
Echinococcus granulosus aryl hydrocarbon receptor 0.0051 0.0275 0.5031
Entamoeba histolytica hypothetical protein 0.0086 0.0544 1
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0016 0.0003 0.0013
Loa Loa (eye worm) hypothetical protein 0.0086 0.0541 0.9937
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0086 0.0544 0.1977
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.015 0.2721
Trichomonas vaginalis adenylate cyclase, putative 0.0015 0 0.5
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0015 0 0.5
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0016 0.0003 0.0013
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0015 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0015 0 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0026 0.01
Entamoeba histolytica protein kinase domain containing protein 0.0086 0.0544 1
Brugia malayi hypothetical protein 0.0036 0.0158 0.0218
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0036 0.0156 0.0215
Trichomonas vaginalis conserved hypothetical protein 0.0015 0 0.5
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0051 0.0275 0.5049
Echinococcus multilocularis aryl hydrocarbon receptor 0.0051 0.0275 0.5031
Brugia malayi Cytochrome P450 family protein 0.0019 0.0026 0.0037
Brugia malayi Protein kinase domain containing protein 0.0086 0.0544 0.0752
Entamoeba histolytica protein kinase, putative 0.0086 0.0544 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0156 0.2861
Leishmania major cytochrome p450-like protein 0.0019 0.0026 0.01
Brugia malayi hypothetical protein 0.0051 0.0273 0.0377
Trichomonas vaginalis guanylate cyclase, putative 0.0015 0 0.5
Brugia malayi aryl hydrocarbon receptor nuclear translocator protein, putative 0.0036 0.0158 0.0218
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.036 0.2646 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0019 0.0026 0.5
Onchocerca volvulus 0.0051 0.0273 0.0117
Schistosoma mansoni hypothetical protein 0.0035 0.015 0.2747
Leishmania major protein kinase, putative 0.0016 0.0003 0.0013
Schistosoma mansoni serine/threonine protein kinase 0.0086 0.0544 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.015 0.2747
Trichomonas vaginalis conserved hypothetical protein 0.0015 0 0.5
Trichomonas vaginalis guanylate cyclase, putative 0.0015 0 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0026 0.01
Loa Loa (eye worm) hypothetical protein 0.0086 0.0541 0.9937
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0015 0 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0103 0.1892
Giardia lamblia Telomerase catalytic subunit 0.036 0.2646 0.5
Plasmodium vivax telomerase reverse transcriptase, putative 0.036 0.2646 0.5
Trypanosoma brucei telomerase reverse transcriptase 0.036 0.2646 1
Toxoplasma gondii RNA-directed DNA polymerase 0.036 0.2646 0.5
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0086 0.0544 0.2057
Echinococcus multilocularis dual specificity 0.0086 0.0544 1
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0016 0.0003 0.0013
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.015 0.2721
Loa Loa (eye worm) hypothetical protein 0.0051 0.0273 0.5013
Schistosoma mansoni aryl hydrocarbon receptor nuclear translocator homolog (darnt) 0.0036 0.0158 0.2897
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0086 0.0544 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0156 0.2861
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0016 0.0003 0.0013
Echinococcus granulosus dual specificity 0.0086 0.0544 1
Plasmodium falciparum telomerase reverse transcriptase 0.036 0.2646 0.5
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.036 0.2646 1
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0086 0.0544 0.2057
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0015 0 0.5
Brugia malayi Telomerase reverse transcriptase 0.0959 0.7237 1
Schistosoma mansoni aryl hydrocarbon receptor 0.0016 0.0002 0.0036

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 530 nM Antagonist activity at human bradykinin B1 receptor in IL1beta stimulated IMR90 cells by FLIPR assay ChEMBL. 17880055
IC50 (functional) = 530 nM Antagonist activity at human bradykinin B1 receptor in IL1beta stimulated IMR90 cells by FLIPR assay ChEMBL. 17880055
Ki (binding) = 200 nM Displacement of [3H]DAKA from human bradykinin B1 receptor in IL1beta stimulated IMR90 cells ChEMBL. 17880055
Ki (binding) = 200 nM Displacement of [3H]DAKA from human bradykinin B1 receptor in IL1beta stimulated IMR90 cells ChEMBL. 17880055

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.

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