Detailed information for compound 1224086

Basic information

Technical information
  • TDR Targets ID: 1224086
  • Name: N-[2-(4-methoxyphenoxy)pyridin-3-yl]-2,3-dime thylbenzamide
  • MW: 348.395 | Formula: C21H20N2O3
  • H donors: 1 H acceptors: 2 LogP: 4.25 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)Oc1ncccc1NC(=O)c1cccc(c1C)C
  • InChi: 1S/C21H20N2O3/c1-14-6-4-7-18(15(14)2)20(24)23-19-8-5-13-22-21(19)26-17-11-9-16(25-3)10-12-17/h4-13H,1-3H3,(H,23,24)
  • InChiKey: PNVXRXBEFATAQV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-(4-methoxyphenoxy)-3-pyridyl]-2,3-dimethyl-benzamide
  • N-[2-(4-methoxyphenoxy)-3-pyridyl]-2,3-dimethylbenzamide
  • N-[2-(4-methoxyphenoxy)pyridin-3-yl]-2,3-dimethyl-benzamide
  • ZINC00083892
  • MLS000861470
  • SMR000460254
  • Oprea1_104089

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Echinococcus multilocularis 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
Echinococcus granulosus 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
Brugia malayi RNA recognition motif 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 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
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA 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
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
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.003 0.0664 0.2805
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0557 1
Echinococcus granulosus potassium voltage gated channel subfamily KQT 0.0072 0.1919 0.1919
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.0557 0.3781
Trichomonas vaginalis set domain proteins, putative 0.0263 0.7642 1
Brugia malayi Pre-SET motif family protein 0.0231 0.6686 1
Echinococcus granulosus peptidase Clp S14 family 0.0057 0.1472 0.1472
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0557 0.2351
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.003 0.0664 0.2805
Loa Loa (eye worm) hypothetical protein 0.0087 0.2368 0.2368
Entamoeba histolytica hypothetical protein 0.004 0.0964 1
Schistosoma mansoni hypothetical protein 0.0342 1 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0357 0.0357
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0357 0.2428
Mycobacterium ulcerans fatty-acid-CoA ligase 0.002 0.0357 0.151
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0474 0.8685
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0557 0.2351
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0761 0.0761
Schistosoma mansoni ran 0.0024 0.0474 0.0474
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.0557 0.2351
Schistosoma mansoni hypothetical protein 0.004 0.0964 0.0964
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0024 0.0474 0.0474
Plasmodium vivax acyl-CoA synthetase, putative 0.002 0.0357 0.151
Entamoeba histolytica hypothetical protein 0.004 0.0964 1
Trichomonas vaginalis ran, putative 0.0024 0.0474 0.062
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0474 0.8685
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0024 0.0474 0.5
Entamoeba histolytica hypothetical protein 0.004 0.0964 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0557 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0557 0.5772
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0087 0.2368 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0087 0.2368 0.2368
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2057 0.3077
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0557 0.0833
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0087 0.2368 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0357 0.0357
Loa Loa (eye worm) hypothetical protein 0.0072 0.1919 0.1919
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0724 0.0724
Schistosoma mansoni importin beta-1 0.0032 0.0727 0.0727
Loa Loa (eye worm) hypothetical protein 0.0032 0.0727 0.0727
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0087 0.2368 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0557 0.2351
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0964 0.0964
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2057 0.2057
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.016 0.4548 0.4548
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0557 0.0833
Loa Loa (eye worm) hypothetical protein 0.0072 0.1919 0.1919
Entamoeba histolytica hypothetical protein 0.004 0.0964 1
Onchocerca volvulus 0.0033 0.0761 0.0996
Loa Loa (eye worm) voltage-gated potassium channel 0.0157 0.4467 0.4467
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2057 0.2057
Trypanosoma cruzi importin beta-1 subunit, putative 0.0026 0.0546 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0761 0.0761
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0546 0.0714
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog 0.016 0.4548 0.6802
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0087 0.2368 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.0557 0.2351
Echinococcus multilocularis peptidase Clp (S14 family) 0.0057 0.1472 0.1472
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0024 0.0474 0.0474
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0087 0.2368 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0087 0.2368 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0024 0.0474 0.0709
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0761 0.3213
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0557 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0024 0.0474 0.0474
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.003 0.0664 0.2805
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0546 0.0714
Onchocerca volvulus 0.0026 0.0557 0.0728
Trichomonas vaginalis importin beta-1, putative 0.0026 0.0546 0.0714
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0761 0.0761
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.016 0.4548 0.4548
Schistosoma mansoni ran 0.0024 0.0474 0.0474
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0024 0.0474 0.2002
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0087 0.2368 0.2368
Echinococcus multilocularis importin subunit beta 1 0.0032 0.0727 0.0727
Loa Loa (eye worm) hypothetical protein 0.0026 0.0557 0.0557
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2057 0.2057
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0761 0.0761
Plasmodium vivax importin-beta 2, putative 0.0032 0.0727 0.307
Mycobacterium ulcerans hypothetical protein 0.0026 0.0557 0.2351
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0557 0.5772
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0964 0.0964
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0231 0.6686 0.6686
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2057 0.2057
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0557 0.0833
Entamoeba histolytica Ran family GTPase 0.0024 0.0474 0.4915
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0024 0.0474 0.652
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2057 0.2057
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0057 0.1472 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0087 0.2368 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0557 0.0557
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0761 0.0761
Brugia malayi RNA binding protein 0.0076 0.2057 0.3077
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2057 0.2057
Echinococcus granulosus importin subunit beta 1 0.0032 0.0727 0.0727
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0087 0.2368 0.5
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0.0727 0.307
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.0557 0.2351
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0024 0.0474 0.2002
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.0557 0.5772
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0557 0.2351
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0057 0.1472 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0761 0.0761
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.0557 0.3781
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0087 0.2368 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0761 0.0761
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0727 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0964 0.0964
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0761 0.0761
Brugia malayi Pre-SET motif family protein 0.0033 0.0761 0.1138
Onchocerca volvulus 0.0263 0.7642 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0357 0.0357
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0024 0.0474 0.2002
Brugia malayi RNA, U transporter 1 0.0091 0.2494 0.373
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0325 0.2209
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0072 0.1919 0.1919
Loa Loa (eye worm) hypothetical protein 0.002 0.0357 0.0357
Plasmodium falciparum importin beta, putative 0.0032 0.0727 0.307
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0087 0.2368 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.2057 0.2057
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0557 0.2351
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0325 0.2209
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0342 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2057 0.2057
Loa Loa (eye worm) hypothetical protein 0.0026 0.0557 0.0557
Brugia malayi TAR-binding protein 0.0076 0.2057 0.3077
Plasmodium falciparum acyl-CoA synthetase 0.002 0.0357 0.151
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2057 0.2057
Leishmania major GTP-binding protein, putative 0.0024 0.0474 0.8515
Toxoplasma gondii hypothetical protein 0.003 0.0664 0.2805
Loa Loa (eye worm) hypothetical protein 0.002 0.0357 0.0357
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0087 0.2368 1
Brugia malayi Probable ClpP-like protease 0.0087 0.2368 0.3541
Brugia malayi hypothetical protein 0.004 0.0964 0.1442
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0727 1
Plasmodium vivax SET domain protein, putative 0.0033 0.0761 0.3213
Brugia malayi Importin beta-1 subunit 0.0032 0.0727 0.1087
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.0557 0.2351
Leishmania major importin beta-1 subunit, putative 0.0026 0.0546 0.9805
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 0.0072 0.1919 0.1919
Entamoeba histolytica hypothetical protein 0.0026 0.0546 0.5659
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0325 0.2209
Loa Loa (eye worm) RNA binding protein 0.0076 0.2057 0.2057
Echinococcus multilocularis snurportin 1 0.0342 1 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0057 0.1472 0.6218
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0325 0.2209
Schistosoma mansoni peptidase Clp (S14 family) 0.0087 0.2368 0.2368
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.016 0.4548 0.4548

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.3323 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) 12.5893 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 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) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] 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
Potency (functional) 100 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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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