Detailed information for compound 1373731

Basic information

Technical information
  • TDR Targets ID: 1373731
  • Name: (4-bromo-2,5-dimethylpyrazol-3-yl)-(2,3-dihyd roindol-1-yl)methanone
  • MW: 320.184 | Formula: C14H14BrN3O
  • H donors: 0 H acceptors: 2 LogP: 2.71 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1n(C)nc(c1Br)C)N1CCc2c1cccc2
  • InChi: 1S/C14H14BrN3O/c1-9-12(15)13(17(2)16-9)14(19)18-8-7-10-5-3-4-6-11(10)18/h3-6H,7-8H2,1-2H3
  • InChiKey: SDCXDURISJTESF-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • (4-bromo-2,5-dimethyl-pyrazol-3-yl)-indolin-1-yl-methanone
  • (4-bromo-2,5-dimethyl-3-pyrazolyl)-(1-indolinyl)methanone
  • (4-bromo-2,5-dimethyl-pyrazol-3-yl)-(2,3-dihydroindol-1-yl)methanone
  • ZINC00376124
  • 1-[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]indoline
  • MLS000698064
  • SMR000228334
  • AK-968/41926782

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723

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
Echinococcus granulosus lamin dm0 0.0033 0.0111 0.0317
Echinococcus multilocularis lamin dm0 0.0033 0.0111 0.0317
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.1534 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0111 0.01
Echinococcus multilocularis lamin 0.0033 0.0111 0.0317
Schistosoma mansoni serine/threonine protein kinase 0.1534 1 1
Echinococcus granulosus intermediate filament protein 0.0033 0.0111 0.0317
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0111 0.0111
Brugia malayi cyclin-dependent kinase 7 homolog 0.0547 0.3497 0.3489
Onchocerca volvulus 0.0033 0.0111 0.5
Brugia malayi intermediate filament protein 0.0033 0.0111 0.01
Schistosoma mansoni serine/threonine protein kinase 0.0547 0.3497 0.3424
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0111 0.0111
Onchocerca volvulus 0.0033 0.0111 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0547 0.3497 0.3424
Echinococcus multilocularis musashi 0.0033 0.0111 0.0317
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0011 0.0011
Loa Loa (eye worm) CMGC/CDK/CDK7 protein kinase 0.0547 0.3497 0.3497
Loa Loa (eye worm) hypothetical protein 0.0032 0.0107 0.0107
Echinococcus multilocularis cyclin dependent kinase 7 0.0547 0.3497 1
Echinococcus granulosus lamin 0.0033 0.0111 0.0317
Loa Loa (eye worm) hypothetical protein 0.0033 0.0111 0.0111
Echinococcus granulosus cyclin dependent kinase 7 0.0547 0.3497 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 167.158 uM PubChem BioAssay. Luminescence-based cell-based high throughput dose response assay to identify activators of Transthyretin (TTR) transcription. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 167.158 uM PubChem BioAssay. Counterscreen for activators of Transthyretin (TTR) transcription: Luminescence-based cell-based high throughput dose response assay to identify inhibitors of Transthyretin (TTR) transcription in HuH7 hepatoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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