Detailed information for compound 431750

Basic information

Technical information
  • TDR Targets ID: 431750
  • Name: [5-bromo-2-(imidazol-1-ylmethyl)phenyl]-pheny lmethanone
  • MW: 341.202 | Formula: C17H13BrN2O
  • H donors: 0 H acceptors: 2 LogP: 3.64 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(c(c1)C(=O)c1ccccc1)Cn1cncc1
  • InChi: 1S/C17H13BrN2O/c18-15-7-6-14(11-20-9-8-19-12-20)16(10-15)17(21)13-4-2-1-3-5-13/h1-10,12H,11H2
  • InChiKey: NYMBGOIIYJYZCF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [5-bromo-2-(imidazol-1-ylmethyl)phenyl]-phenyl-methanone
  • [5-bromo-2-(1-imidazolylmethyl)phenyl]-phenylmethanone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 19, subfamily A, polypeptide 1 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
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi cytochrome P450, putative cytochrome P450, family 19, subfamily A, polypeptide 1 503 aa 425 aa 18.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) peptidase family M1 containing protein 0.0291 0.0727 1
Mycobacterium ulcerans aminopeptidase N PepN 0.0156 0 0.5
Trypanosoma brucei Aminopeptidase M1, putative 0.0156 0 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0156 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0235 0.0428 0.5893
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0156 0 0.5
Echinococcus granulosus aminopeptidase N 0.0341 0.0996 1
Toxoplasma gondii aminopeptidase n, putative 0.2016 1 0.5
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0156 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0185 0.0159 0.2185
Trypanosoma brucei Aminopeptidase M1, putative 0.0156 0 0.5
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.2016 1 0.5
Toxoplasma gondii aminopeptidase N, putative 0.2016 1 0.5
Trypanosoma cruzi aminopeptidase, putative 0.0156 0 0.5
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0156 0 0.5
Echinococcus multilocularis aminopeptidase N 0.0341 0.0996 1
Brugia malayi Peptidase family M1 containing protein 0.0341 0.0996 1
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0156 0 0.5
Toxoplasma gondii aminopeptidase N protein 0.2016 1 0.5
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0156 0 0.5
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0156 0 0.5
Trypanosoma cruzi Aminopeptidase M1, putative 0.0156 0 0.5
Entamoeba histolytica aminopeptidase, putative 0.0156 0 0.5
Onchocerca volvulus 0.0341 0.0996 1
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0156 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 400 nM Inhibition of CYP19 in human placental microsomes ChEMBL. 17585752
IC50 (binding) = 400 nM Inhibition of CYP19 in human placental microsomes ChEMBL. 17585752
Inhibition (binding) = 15 % Inhibition of human CYP17 expressed in Escherichia coli at 2.5 uM ChEMBL. 17585752
Inhibition (binding) = 15 % Inhibition of human CYP17 expressed in Escherichia coli at 2.5 uM ChEMBL. 17585752

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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