Detailed information for compound 1589944

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 334.799 | Formula: C20H15ClN2O
  • H donors: 2 H acceptors: 2 LogP: 4.45 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)C(c1[nH]cc(n1)c1cccc2c1cccc2)O
  • InChi: 1S/C20H15ClN2O/c21-15-8-3-7-14(11-15)19(24)20-22-12-18(23-20)17-10-4-6-13-5-1-2-9-16(13)17/h1-12,19,24H,(H,22,23)
  • InChiKey: VRFARZSNRSACAB-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 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) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.006 0.3289 0.3289
Treponema pallidum leucyl-tRNA synthetase 0.0025 0.0503 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.0503 0.0503
Plasmodium falciparum methionine--tRNA ligase 0.0066 0.3784 1
Onchocerca volvulus 0.0041 0.1758 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.0503 0.0503
Brugia malayi methionyl-tRNA synthetase 0.0066 0.3784 0.3784
Brugia malayi methionyl-tRNA synthetase 0.0025 0.0503 0.0503
Echinococcus multilocularis methionine tRNA synthetase 0.0066 0.3784 1
Loa Loa (eye worm) tyrosyl-tRNA synthetase 0.0041 0.1758 0.1758
Loa Loa (eye worm) methionyl-tRNA synthetase 0.0066 0.3784 0.3784
Leishmania major methionyl-tRNA synthetase, putative 0.0066 0.3784 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1767 0.1767
Echinococcus multilocularis leucyl tRNA synthetase 0.0025 0.0503 0.133
Mycobacterium tuberculosis Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase) 0.0066 0.3784 0.5
Echinococcus multilocularis methionyl tRNA synthetase, cytoplasmic 0.0025 0.0503 0.133
Echinococcus granulosus methionine tRNA synthetase 0.0066 0.3784 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 1 1
Schistosoma mansoni methionine-tRNA synthetase 0.0066 0.3784 1
Toxoplasma gondii methionyl-tRNA synthetase 0.0066 0.3784 1
Trypanosoma brucei methionyl-tRNA synthetase, putative 0.0066 0.3784 0.5
Trichomonas vaginalis methionine-tRNA synthetase, putative 0.0066 0.3784 0.5
Trypanosoma cruzi methionyl-tRNA synthetase, putative 0.0066 0.3784 0.5
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase 0.0066 0.3784 1
Chlamydia trachomatis leucine--tRNA ligase 0.0025 0.0503 0.5
Entamoeba histolytica methionyl-tRNA synthetase, putative 0.0025 0.0503 0.5
Schistosoma mansoni leucyl-tRNA synthetase 0.0025 0.0503 0.133
Plasmodium vivax methionine--tRNA ligase, putative 0.0066 0.3784 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.3289 0.3289
Giardia lamblia Methionyl-tRNA synthetase 0.0066 0.3784 1
Schistosoma mansoni methionine-tRNA synthetase 0.0025 0.0503 0.133
Mycobacterium ulcerans methionyl-tRNA synthetase 0.0066 0.3784 1
Treponema pallidum methionyl-tRNA synthetase 0.0025 0.0503 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0144 1 1
Echinococcus granulosus methionyl tRNA synthetase cytoplasmic 0.0025 0.0503 0.133
Mycobacterium leprae Probable methionyl-tRNA synthase MetS 0.0066 0.3784 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.0503 0.0503
Brugia malayi protein ZK524.3 0.0025 0.0503 0.0503
Loa Loa (eye worm) hypothetical protein 0.0041 0.1767 0.1767
Chlamydia trachomatis methionine--tRNA ligase 0.0025 0.0503 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.1767 0.4669
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.3289 0.3289
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.3289 0.3289

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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