Detailed information for compound 1229777

Basic information

Technical information
  • TDR Targets ID: 1229777
  • Name: 1-(4-amino-7-chloro-2-methylquinolin-3-yl)eth anone
  • MW: 234.682 | Formula: C12H11ClN2O
  • H donors: 1 H acceptors: 2 LogP: 2.77 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)nc(c(c2N)C(=O)C)C
  • InChi: 1S/C12H11ClN2O/c1-6-11(7(2)16)12(14)9-4-3-8(13)5-10(9)15-6/h3-5H,1-2H3,(H2,14,15)
  • InChiKey: LMYIWLSXMMTSFK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(4-amino-7-chloro-2-methyl-3-quinolyl)ethanone
  • 1-(4-amino-7-chloro-2-methyl-quinolin-3-yl)ethanone
  • MLS000066094
  • SMR000079601
  • A3927/0167141
  • 1-(4-amino-7-chloro-2-methyl-3-quinolinyl)ethanone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Trypanosoma brucei hypothetical protein, conserved Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma congolense HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Leishmania donovani HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania major hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma brucei hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
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 multilocularis cpg binding protein 0.0037 0.1284 0.4131
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0144 0.1435
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.2744 0.959
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.1206 0.3642
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.003 0.1004 0.5
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0144 0.1435
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0144 0.1435
Schistosoma mansoni cpg binding protein 0.0037 0.1284 0.443
Loa Loa (eye worm) RNA binding protein 0.0076 0.2861 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0144 0.1435
Schistosoma mansoni cpg binding protein 0.0035 0.1206 0.4154
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2861 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0258 0.0311
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2861 1
Schistosoma mansoni cpg binding protein 0.0037 0.1284 0.443
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2861 1
Trypanosoma cruzi hypothetical protein, conserved 0.0257 1 1
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2861 1
Trypanosoma cruzi hypothetical protein, conserved 0.0257 1 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.1206 0.3655
Onchocerca volvulus 0.0035 0.1206 0.5
Mycobacterium ulcerans hypothetical protein 0.003 0.1004 0.5
Trichomonas vaginalis Citrate lyase beta chain, putative 0.003 0.1004 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0144 0.1435
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2861 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0174 0.0509
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0144 0.1435
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2861 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0144 0.1435
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0144 0.1435
Brugia malayi TAR-binding protein 0.0076 0.2861 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0144 0.1435
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.003 0.1004 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0144 0.1435
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0144 0.1435
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.003 0.1004 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2861 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.2861 1
Mycobacterium ulcerans hypothetical protein 0.003 0.1004 0.5
Trichomonas vaginalis helicase, putative 0.0008 0.0144 0.1435
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0144 0.1435
Echinococcus granulosus citrate lyase subunit beta protein 0.003 0.1004 0.3089
Mycobacterium tuberculosis Conserved protein 0.003 0.1004 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0144 0.1435
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2861 1
Trypanosoma brucei hypothetical protein, conserved 0.0257 1 0.5
Echinococcus granulosus cpg binding protein 0.0037 0.1284 0.4131
Echinococcus multilocularis citrate lyase subunit beta protein 0.003 0.1004 0.3089
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0144 0.1435
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0258 0.0311
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.2433 0.5
Brugia malayi RNA binding protein 0.0076 0.2861 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0144 0.1435
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2861 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0144 0.1435
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0144 0.1435
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.003 0.1004 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.4668 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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