Detailed information for compound 1416841

Basic information

Technical information
  • TDR Targets ID: 1416841
  • Name: 6-methyl-N-(1-methylpiperidin-4-yl)-2-pyridin -2-ylquinoline-4-carboxamide
  • MW: 360.452 | Formula: C22H24N4O
  • H donors: 1 H acceptors: 3 LogP: 3.05 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCC(CC1)NC(=O)c1cc(nc2c1cc(C)cc2)c1ccccn1
  • InChi: 1S/C22H24N4O/c1-15-6-7-19-17(13-15)18(14-21(25-19)20-5-3-4-10-23-20)22(27)24-16-8-11-26(2)12-9-16/h3-7,10,13-14,16H,8-9,11-12H2,1-2H3,(H,24,27)
  • InChiKey: WQSUGVAWVKJADX-UHFFFAOYSA-N  

Network

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Synonyms

  • 6-methyl-N-(1-methyl-4-piperidyl)-2-(2-pyridyl)quinoline-4-carboxamide
  • 6-methyl-N-(1-methyl-4-piperidinyl)-2-(2-pyridyl)-4-quinolinecarboxamide
  • 6-methyl-N-(1-methyl-4-piperidyl)-2-(2-pyridyl)cinchoninamide
  • 6-methyl-N-(1-methylpiperidin-4-yl)-2-pyridin-2-yl-quinoline-4-carboxamide
  • SMR000079205
  • 6-methyl-N-(1-methyl-4-piperidinyl)-2-(2-pyridinyl)-4-quinolinecarboxamide
  • MLS000065404
  • IVK/4001453

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase, type B Starlite/ChEMBL No references
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0032 0.0118 0.035
Echinococcus multilocularis GPCR, family 2 0.0361 0.3052 0.9411
Brugia malayi hypothetical protein 0.0024 0.0048 0.0048
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0183 0.1468 1
Brugia malayi hypothetical protein 0.0024 0.0048 0.0048
Brugia malayi Doublecortin family protein 0.0024 0.0048 0.0048
Schistosoma mansoni lipoxygenase 0.01 0.0722 0.1059
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0056 0.0333 0.1015
Schistosoma mansoni hypothetical protein 0.0056 0.0333 0.0485
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0261 0.2158 0.6652
Brugia malayi RNA binding protein 0.0382 0.3242 0.3242
Loa Loa (eye worm) TAR-binding protein 0.0382 0.3242 0.3239
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.009 0.04
Brugia malayi Calcitonin receptor-like protein seb-1 0.1141 1 1
Loa Loa (eye worm) hypothetical protein 0.0251 0.2075 0.2072
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0032 0.0118 0.0167
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0048 0.0134
Schistosoma mansoni rab6-interacting 0.0024 0.0048 0.0064
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1141 1 1
Schistosoma mansoni isocitrate dehydrogenase 0.0032 0.0118 0.0167
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.009 0.04
Loa Loa (eye worm) hypothetical protein 0.0032 0.0118 0.0113
Echinococcus granulosus RUN 0.0024 0.0048 0.0134
Loa Loa (eye worm) hypothetical protein 0.0361 0.3052 0.3049
Brugia malayi Probable isocitrate dehydrogenase 0.0032 0.0118 0.0118
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0048 0.0134
Loa Loa (eye worm) apoptosis regulator protein 0.0056 0.0333 0.0329
Brugia malayi jmjC domain containing protein 0.0019 0.0004 0.0004
Brugia malayi Latrophilin receptor protein 2 0.0361 0.3052 0.3052
Loa Loa (eye worm) hypothetical protein 0.1141 1 1
Schistosoma mansoni lipoxygenase 0.0142 0.1104 0.1623
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0032 0.0118 0.0113
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0056 0.0333 0.0333
Schistosoma mansoni hypothetical protein 0.0361 0.3052 0.4495
Loa Loa (eye worm) latrophilin receptor protein 2 0.0361 0.3052 0.3049
Brugia malayi Isocitrate dehydrogenase 0.0261 0.2158 0.2158
Leishmania major isocitrate dehydrogenase, putative 0.0032 0.0118 0.0526
Brugia malayi RNA recognition motif domain containing protein 0.0382 0.3242 0.3242
Brugia malayi N-terminal motif family protein 0.0183 0.1468 0.1468
Schistosoma mansoni tar DNA-binding protein 0.0382 0.3242 0.4776
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.0468 0.1433
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0382 0.3242 0.3239
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0048 0.0134
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0468 0.0684
Brugia malayi isocitrate dehydrogenase 0.0261 0.2158 0.2158
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0032 0.0118 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0468 0.1433
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0032 0.0118 0.5
Echinococcus granulosus GPCR family 2 0.0361 0.3052 0.9411
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0453 0.1385
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.009 0.04
Schistosoma mansoni unc-13 (munc13) 0.0032 0.0118 0.0167
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.0453 0.0661
Schistosoma mansoni loxhd1 0.0024 0.0048 0.0064
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.0453 0.0453
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.1104 0.3397
Echinococcus granulosus tar DNA binding protein 0.0382 0.3242 1
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0032 0.0118 0.0118
Schistosoma mansoni hypothetical protein 0.0361 0.3052 0.4495
Schistosoma mansoni polycystin 1-related 0.0024 0.0048 0.0064
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0069 0.0453 0.1642
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0261 0.2158 0.6652
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.1104 0.3397
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0261 0.2158 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.009 0.04
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.009 0.04
Schistosoma mansoni tar DNA-binding protein 0.0382 0.3242 0.4776
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0261 0.2158 1
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0056 0.0333 0.1015
Leishmania major hypothetical protein, conserved 0.0029 0.009 0.04
Loa Loa (eye worm) hypothetical protein 0.078 0.6784 0.6783
Schistosoma mansoni apoptosis regulator bax 0.0056 0.0333 0.0485
Toxoplasma gondii isocitrate dehydrogenase 0.0261 0.2158 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.009 0.04
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0261 0.2158 1
Entamoeba histolytica tartrate dehydrogenase, putative 0.0032 0.0118 0.5
Schistosoma mansoni hypothetical protein 0.0024 0.0048 0.0064
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0032 0.0118 0.035
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0261 0.2158 0.6652
Loa Loa (eye worm) hypothetical protein 0.0024 0.0048 0.0043
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0056 0.0333 0.0485
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0056 0.0333 0.1015
Loa Loa (eye worm) hypothetical protein 0.0024 0.0048 0.0043
Brugia malayi latrophilin 2 splice variant baaae 0.078 0.6784 0.6784
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.0468 0.1433
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0032 0.0118 0.035
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0361 0.3052 0.3052
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0261 0.2158 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0048 0.0134
Schistosoma mansoni tar DNA-binding protein 0.0382 0.3242 0.4776
Toxoplasma gondii isocitrate dehydrogenase 0.0261 0.2158 1
Schistosoma mansoni hypothetical protein 0.0056 0.0333 0.0485
Brugia malayi hypothetical protein 0.0029 0.009 0.009
Brugia malayi jmjC domain containing protein 0.0071 0.0468 0.0468
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0361 0.3052 0.9411
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0361 0.3052 0.9411
Echinococcus multilocularis isocitrate dehydrogenase 0.0261 0.2158 0.6652
Brugia malayi jmjC domain containing protein 0.0019 0.0004 0.0004
Schistosoma mansoni tar DNA-binding protein 0.0382 0.3242 0.4776
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.009 0.04
Brugia malayi photoreceptor-specific nuclear receptor 0.0251 0.2075 0.2075
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0069 0.0453 0.2082
Loa Loa (eye worm) hypothetical protein 0.0056 0.0333 0.0329
Loa Loa (eye worm) doublecortin family protein 0.0024 0.0048 0.0043
Brugia malayi TAR-binding protein 0.0382 0.3242 0.3242
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0032 0.0118 0.035
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0261 0.2158 1
Brugia malayi jmjC domain containing protein 0.0071 0.0468 0.0468
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0261 0.2158 1
Loa Loa (eye worm) hypothetical protein 0.0183 0.1468 0.1465
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0468 0.0684
Brugia malayi jmjC domain containing protein 0.0019 0.0004 0.0004
Loa Loa (eye worm) isocitrate dehydrogenase 0.0261 0.2158 0.2155
Echinococcus multilocularis tar DNA binding protein 0.0382 0.3242 1
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0032 0.0118 0.5
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.0048 0.0134
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0361 0.3052 0.9411
Plasmodium falciparum LCCL domain-containing protein 0.0024 0.0048 0.0201
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0453 0.1385
Schistosoma mansoni hypothetical protein 0.0361 0.3052 0.4495
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.0468 0.0464
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0261 0.2158 0.3177
Loa Loa (eye worm) RNA binding protein 0.0382 0.3242 0.3239
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.0453 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.0453 1
Schistosoma mansoni hypothetical protein 0.078 0.6784 1
Schistosoma mansoni tar DNA-binding protein 0.0382 0.3242 0.4776
Plasmodium vivax multidomain scavenger receptor, putative 0.0024 0.0048 0.0201
Brugia malayi jmjC domain containing protein 0.0019 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0029 0.009 0.0086
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0261 0.2158 0.6652
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0468 0.0684
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0261 0.2158 1
Brugia malayi Probable isocitrate dehydrogenase 0.0032 0.0118 0.0118
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0361 0.3052 0.9411
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0032 0.0118 0.0118
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.0048 0.0134
Schistosoma mansoni hypothetical protein 0.0361 0.3052 0.4495
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0032 0.0118 0.0118
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.0411 0.0407
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.0468 0.1433
Schistosoma mansoni hypothetical protein 0.0056 0.0333 0.0485
Schistosoma mansoni rab6-interacting 0.0024 0.0048 0.0064
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0056 0.0333 0.1015
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0261 0.2158 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0261 0.2158 0.6652
Echinococcus multilocularis RUN 0.0024 0.0048 0.0134

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] 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.

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