Detailed information for compound 1485987

Basic information

Technical information
  • TDR Targets ID: 1485987
  • Name: [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate
  • MW: 300.309 | Formula: C16H16N2O4
  • H donors: 1 H acceptors: 3 LogP: 1.85 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1CNC(=O)COC(=O)c1ccccn1
  • InChi: 1S/C16H16N2O4/c1-21-14-8-3-2-6-12(14)10-18-15(19)11-22-16(20)13-7-4-5-9-17-13/h2-9H,10-11H2,1H3,(H,18,19)
  • InChiKey: CPFZFFMYMTVMDO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [2-[(2-methoxyphenyl)methylamino]-2-oxo-ethyl] pyridine-2-carboxylate
  • 2-pyridinecarboxylic acid [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] ester
  • picolinic acid [2-keto-2-[(2-methoxybenzyl)amino]ethyl] ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.1113 0.1113
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0573 0.045
Loa Loa (eye worm) hypothetical protein 0.0049 0.1351 0.4014
Brugia malayi jmjC domain containing protein 0.0045 0.1113 0.1741
Brugia malayi PHD-finger family protein 0.0035 0.0573 0.0601
Loa Loa (eye worm) hypothetical protein 0.0046 0.1192 0.3541
Brugia malayi jmjC domain containing protein 0.0115 0.503 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.1479 0.4395
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0573 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0985 0.0868
Plasmodium falciparum phd finger protein, putative 0.0035 0.0573 0.5
Brugia malayi Bromodomain containing protein 0.0091 0.3653 0.7097
Schistosoma mansoni hypothetical protein 0.0035 0.0573 0.0573
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.503 0.4965
Onchocerca volvulus Alhambra homolog 0.0035 0.0573 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.1028 0.0911
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.1113 0.1113
Echinococcus multilocularis geminin 0.0205 1 1
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.1113 0.0998
Schistosoma mansoni hypothetical protein 0.0205 1 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.2625 0.2529
Brugia malayi Bromodomain containing protein 0.0046 0.1187 0.1897
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.2659 0.7899
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0128 0.0128
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0573 0.5
Echinococcus granulosus jumonji domain containing protein 0.0049 0.134 0.1227
Loa Loa (eye worm) hypothetical protein 0.0085 0.3366 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0573 0.045
Giardia lamblia PHD finger protein 15 0.0035 0.0573 0.5
Schistosoma mansoni jumonji domain containing protein 0.0092 0.3711 0.3711
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.1028 0.0911
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.2625 0.2529
Echinococcus granulosus peregrin 0.0038 0.0732 0.0611
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0573 0.1701
Loa Loa (eye worm) hypothetical protein 0.0035 0.0573 0.1701
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0573 0.5
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0573 0.0573
Brugia malayi Bromodomain containing protein 0.0038 0.0732 0.0937
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.1113 0.3307
Schistosoma mansoni hypothetical protein 0.0205 1 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.503 0.4965
Echinococcus multilocularis peregrin 0.0038 0.0732 0.0611
Schistosoma mansoni bromodomain containing protein 0.0076 0.2866 0.2866
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.134 0.1227
Loa Loa (eye worm) hypothetical protein 0.006 0.1972 0.5859

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7308 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No 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) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 100 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.

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