Detailed information for compound 301252

Basic information

Technical information
  • TDR Targets ID: 301252
  • Name: 2-[(4-methoxybenzoyl)amino]-N-(4-methoxypheny l)benzamide
  • MW: 376.405 | Formula: C22H20N2O4
  • H donors: 2 H acceptors: 2 LogP: 4.09 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)NC(=O)c1ccccc1NC(=O)c1ccc(cc1)OC
  • InChi: 1S/C22H20N2O4/c1-27-17-11-7-15(8-12-17)21(25)24-20-6-4-3-5-19(20)22(26)23-16-9-13-18(28-2)14-10-16/h3-14H,1-2H3,(H,23,26)(H,24,25)
  • InChiKey: XMHQAOSQGDDZSB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-methoxyphenyl)-2-[[(4-methoxyphenyl)-oxomethyl]amino]benzamide
  • N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)carbonylamino]benzamide
  • N-(4-methoxyphenyl)-2-(p-anisoylamino)benzamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Mycobacterium tuberculosis Possible esterase LipW 0.0339 0 0.5
Mycobacterium ulcerans membrane-bound esterase LipM 0.0339 0 0.5
Mycobacterium tuberculosis Probable esterase/lipase LipF 0.0339 0 0.5
Leishmania major hypothetical protein, conserved 0.0339 0 0.5
Mycobacterium ulcerans esterase LipO 0.0339 0 0.5
Mycobacterium tuberculosis Probable carboxylesterase LipQ 0.0339 0 0.5
Trypanosoma cruzi serine peptidase, Clan SC, Family S9D 0.0339 0 0.5
Mycobacterium tuberculosis Probable non lipolytic carboxylesterase NlhH 0.0339 0 0.5
Mycobacterium tuberculosis Putative acetyl hydrolase MbtJ 0.0339 0 0.5
Mycobacterium ulcerans lipase LipU 0.0339 0 0.5
Mycobacterium ulcerans acetyl hydrolase MbtJ 0.0339 0 0.5
Schistosoma mansoni hormone-sensitive lipase (S09 family) 1.9998 1 1
Mycobacterium tuberculosis Probable esterase LipM 0.0339 0 0.5
Mycobacterium ulcerans hypothetical protein 0.0339 0 0.5
Trypanosoma cruzi Alpha/beta hydrolase domain-containing protein 0.0339 0 0.5
Mycobacterium ulcerans lipase LipH 0.0339 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0339 0 0.5
Mycobacterium leprae Possible lipase LipU 0.0339 0 0.5
Mycobacterium tuberculosis Probable esterase LipC 0.0339 0 0.5
Trichomonas vaginalis Esterase, putative 0.0339 0 0.5
Trichomonas vaginalis Esterase, putative 0.0339 0 0.5
Mycobacterium tuberculosis Possible lipase LipU 0.0339 0 0.5
Echinococcus multilocularis hormone sensitive lipase 1.9998 1 0.5
Trypanosoma cruzi Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.0339 0 0.5
Toxoplasma gondii alpha/beta hydrolase fold domain-containing protein 0.0339 0 0.5
Schistosoma mansoni hormone-sensitive lipase (S09 family) 1.9998 1 1
Trypanosoma cruzi Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.0339 0 0.5
Mycobacterium ulcerans lipase/esterase LipN 0.0339 0 0.5
Mycobacterium tuberculosis Probable lipase/esterase LipN 0.0339 0 0.5
Mycobacterium ulcerans esterase LipW 0.0339 0 0.5
Loa Loa (eye worm) hypothetical protein 1.9998 1 1
Leishmania major ecotin, putative 0.0339 0 0.5
Mycobacterium ulcerans lipase LipU 0.0339 0 0.5
Mycobacterium ulcerans esterase LipC 0.0339 0 0.5
Trypanosoma brucei Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.0339 0 0.5
Schistosoma mansoni hormone-sensitive lipase (S09 family) 1.9998 1 1
Brugia malayi aryl-acylamidase 0.0339 0 0.5
Onchocerca volvulus 0.0339 0 0.5
Mycobacterium tuberculosis Probable acetyl-hydrolase/esterase LipR 0.0339 0 0.5
Mycobacterium tuberculosis Probable esterase LipO 0.0339 0 0.5
Mycobacterium ulcerans esterase/lipase 0.0339 0 0.5
Mycobacterium ulcerans carboxylesterase LipQ 0.0339 0 0.5
Trichomonas vaginalis Esterase, putative 0.0339 0 0.5
Mycobacterium tuberculosis Probable lipase LipH 0.0339 0 0.5
Mycobacterium ulcerans lipase LipI 0.0339 0 0.5
Toxoplasma gondii alpha/beta hydrolase fold domain-containing protein 0.0339 0 0.5
Treponema pallidum N-acetylphosphinothricin-tripetide-deacetylase 0.0339 0 0.5

Activities

Activity type Activity value Assay description Source Reference
K ass (binding) = 1200000 l M-1 Binding affinity for coagulation factor X as apparent association constant (Kass) derived from protease inhibition kinetics. ChEMBL. 10715154
K ass (binding) = 1200000 l M-1 Binding affinity for coagulation factor X as apparent association constant (Kass) derived from protease inhibition kinetics. ChEMBL. 10715154
Kapp (binding) = 1 10^6L/mol Inhibition of human factor 10a ChEMBL. 17624775
Kapp (binding) = 1 10^6L/mol Inhibition of human factor 10a ChEMBL. 17624775

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

2 literature references were collected for this gene.

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