Detailed information for compound 1482538

Basic information

Technical information
  • TDR Targets ID: 1482538
  • Name: N-(3-bromophenyl)-2-methylquinolin-4-amine
  • MW: 313.192 | Formula: C16H13BrN2
  • H donors: 1 H acceptors: 1 LogP: 4.82 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1cccc(c1)Nc1cc(C)nc2c1cccc2
  • InChi: 1S/C16H13BrN2/c1-11-9-16(14-7-2-3-8-15(14)18-11)19-13-6-4-5-12(17)10-13/h2-10H,1H3,(H,18,19)
  • InChiKey: MHXGKAPEFLBBDT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-bromophenyl)-2-methyl-quinolin-4-amine
  • N-(3-bromophenyl)-2-methyl-4-quinolinamine
  • (3-bromophenyl)-(2-methyl-4-quinolyl)amine
  • SMR000473089
  • Oprea1_235790
  • (3-Bromo-phenyl)-(2-methyl-quinolin-4-yl)-amine
  • BAS 02056221
  • Oprea1_581200
  • MLS001076006

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
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 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.011 0.1439 0.1439
Brugia malayi MH2 domain containing protein 0.0144 0.1985 0.1985
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0181 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.011 0.1439 0.1439
Leishmania major hypothetical protein, conserved 0.003 0.0181 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.011 0.1439 1
Echinococcus multilocularis neuroligin 0.011 0.1439 0.1439
Onchocerca volvulus 0.011 0.1439 0.5
Echinococcus granulosus acetylcholinesterase 0.0649 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0351 0.0351
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.011 0.1439 0.1439
Loa Loa (eye worm) carboxylesterase 0.0649 1 1
Brugia malayi Carboxylesterase family protein 0.011 0.1439 0.1439
Brugia malayi hypothetical protein 0.011 0.1439 0.1439
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.011 0.1439 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.011 0.1439 0.1439
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0181 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1985 0.1985
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0181 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0653 0.0653
Echinococcus granulosus para nitrobenzyl esterase 0.011 0.1439 0.1439
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0653 0.0653
Trichomonas vaginalis spcc417.12 protein, putative 0.011 0.1439 0.5
Onchocerca volvulus 0.011 0.1439 0.5
Loa Loa (eye worm) carboxylesterase 0.011 0.1439 0.1439
Echinococcus granulosus acetylcholinesterase 0.0649 1 1
Brugia malayi Carboxylesterase family protein 0.011 0.1439 0.1439
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0181 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0181 0.0181
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1985 0.1985
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0653 0.0653
Onchocerca volvulus 0.011 0.1439 0.5
Echinococcus multilocularis acetylcholinesterase 0.0649 1 1
Onchocerca volvulus 0.011 0.1439 0.5
Loa Loa (eye worm) carboxylesterase 0.011 0.1439 0.1439
Echinococcus multilocularis acetylcholinesterase 0.0649 1 1
Echinococcus granulosus neuroligin 0.011 0.1439 0.1439
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0181 1
Loa Loa (eye worm) hypothetical protein 0.011 0.1439 0.1439
Onchocerca volvulus 0.011 0.1439 0.5
Echinococcus granulosus family S9 non peptidase ue S09 family 0.011 0.1439 0.1439
Echinococcus granulosus carboxylesterase 5A 0.0649 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.011 0.1439 0.1439
Schistosoma mansoni acetylcholinesterase 0.011 0.1439 0.1439
Brugia malayi hypothetical protein 0.002 0.001 0.001
Schistosoma mansoni gliotactin 0.011 0.1439 0.1439
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0351 0.0351
Loa Loa (eye worm) hypothetical protein 0.0649 1 1
Echinococcus multilocularis para nitrobenzyl esterase 0.011 0.1439 0.1439
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0181 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0181 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.011 0.1439 0.1439
Loa Loa (eye worm) hypothetical protein 0.011 0.1439 0.1439
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.011 0.1439 0.1439
Loa Loa (eye worm) hypothetical protein 0.006 0.0653 0.0653
Loa Loa (eye worm) hypothetical protein 0.0649 1 1
Loa Loa (eye worm) hypothetical protein 0.011 0.1439 0.1439
Schistosoma mansoni BC026374 protein (S09 family) 0.011 0.1439 0.1439
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.011 0.1439 1
Brugia malayi Carboxylesterase family protein 0.011 0.1439 0.1439
Brugia malayi hypothetical protein 0.003 0.0181 0.0181
Loa Loa (eye worm) hypothetical protein 0.011 0.1439 0.1439
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0649 1 1
Echinococcus granulosus BC026374 protein S09 family 0.011 0.1439 0.1439
Mycobacterium ulcerans carboxylesterase, LipT 0.011 0.1439 0.5
Brugia malayi Carboxylesterase family protein 0.0649 1 1
Echinococcus multilocularis carboxylesterase 5A 0.0649 1 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0649 1 1
Brugia malayi Carboxylesterase family protein 0.011 0.1439 0.1439
Schistosoma mansoni hypothetical protein 0.0041 0.0351 0.0351
Loa Loa (eye worm) hypothetical protein 0.011 0.1439 0.1439
Loa Loa (eye worm) hypothetical protein 0.011 0.1439 0.1439
Mycobacterium tuberculosis Carboxylesterase LipT 0.011 0.1439 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.6234 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) 6.7016 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 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) 16.3601 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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