Detailed information for compound 341549

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 416.469 | Formula: C25H24N2O4
  • H donors: 1 H acceptors: 4 LogP: 3.34 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1N(c2ccc(cc2)C(=O)NCC(=O)c2ccc(c(c2)C)C)C(=O)C2C1CC=CC2
  • InChi: 1S/C25H24N2O4/c1-15-7-8-18(13-16(15)2)22(28)14-26-23(29)17-9-11-19(12-10-17)27-24(30)20-5-3-4-6-21(20)25(27)31/h3-4,7-13,20-21H,5-6,14H2,1-2H3,(H,26,29)
  • InChiKey: RCCWUDYNRZCTEH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

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
Schistosoma mansoni cercarial elastase (S01 family) 0.0165 0.1501 1
Mycobacterium tuberculosis Probable lipase LipE 0.0144 0.1268 0.1268
Toxoplasma gondii transketolase 0.0056 0.0281 0.2217
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0165 0.1501 1
Mycobacterium tuberculosis Probable lipase LipD 0.0144 0.1268 0.1268
Mycobacterium ulcerans beta-lactamase 0.0144 0.1268 0.2247
Toxoplasma gondii ABC1 family protein 0.0144 0.1268 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0165 0.1501 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0144 0.1268 0.8447
Schistosoma mansoni cercarial elastase (S01 family) 0.0165 0.1501 1
Loa Loa (eye worm) hypothetical protein 0.0165 0.1501 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0144 0.1268 0.8447
Echinococcus granulosus transketolase 0.0056 0.0281 0.1873
Onchocerca volvulus 0.0165 0.1501 1
Schistosoma mansoni transketolase 0.0056 0.0281 0.1873
Mycobacterium leprae conserved hypothetical protein 0.0144 0.1268 0.502
Loa Loa (eye worm) hypothetical protein 0.0165 0.1501 1
Echinococcus granulosus transketolase 0.0056 0.0281 0.1873
Echinococcus granulosus enteropeptidase 0.0165 0.1501 1
Mycobacterium tuberculosis Transketolase Tkt (TK) 0.0056 0.0281 0.0281
Echinococcus multilocularis beta LACTamase domain containing family member 0.0144 0.1268 0.8447
Schistosoma mansoni hypothetical protein 0.0165 0.1501 1
Leishmania major hypothetical protein, conserved 0.0144 0.1268 1
Mycobacterium tuberculosis Probable esterase LipL 0.0144 0.1268 0.1268
Echinococcus multilocularis Mastin 0.0165 0.1501 1
Echinococcus multilocularis transketolase 0.0056 0.0281 0.1873
Trypanosoma brucei transketolase, putative 0.0056 0.0281 0.1113
Loa Loa (eye worm) hypothetical protein 0.0165 0.1501 1
Treponema pallidum transketolase 0.0036 0.005 1
Echinococcus granulosus transmembrane protease serine 3 0.0165 0.1501 1
Trichomonas vaginalis D-aminoacylase, putative 0.0144 0.1268 1
Trypanosoma cruzi transketolase, putative 0.0056 0.0281 0.2217
Schistosoma mansoni transketolase 0.0056 0.0281 0.1873
Trichomonas vaginalis penicillin-binding protein, putative 0.0144 0.1268 1
Mycobacterium tuberculosis Probable hydrolase 0.0144 0.1268 0.1268
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0144 0.1268 0.8447
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0144 0.1268 0.2247
Loa Loa (eye worm) hypothetical protein 0.0165 0.1501 1
Mycobacterium ulcerans lipase LipD 0.0144 0.1268 0.2247
Schistosoma mansoni cercarial elastase (S01 family) 0.0165 0.1501 1
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0165 0.1501 1
Onchocerca volvulus 0.0165 0.1501 1
Mycobacterium tuberculosis Conserved protein 0.0144 0.1268 0.1268
Leishmania major transketolase 0.0056 0.0281 0.2217
Brugia malayi Trypsin-like protease protein 5 0.0165 0.1501 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0165 0.1501 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0144 0.1268 0.8447
Trichomonas vaginalis esterase, putative 0.0144 0.1268 1
Echinococcus granulosus Mastin 0.0165 0.1501 1
Wolbachia endosymbiont of Brugia malayi transketolase 0.0056 0.0281 1
Echinococcus multilocularis glycoprotein Antigen 5 0.0165 0.1501 1
Mycobacterium leprae Probable transketolase Tkt (TK) 0.0056 0.0281 0.1113
Brugia malayi Trypsin family protein 0.0165 0.1501 1
Schistosoma mansoni hypothetical protein 0.0165 0.1501 1
Trypanosoma cruzi hypothetical protein, conserved 0.0144 0.1268 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0165 0.1501 1
Mycobacterium tuberculosis Conserved protein 0.0144 0.1268 0.1268
Brugia malayi beta-lactamase family protein 0.0144 0.1268 0.8447
Loa Loa (eye worm) hypothetical protein 0.0144 0.1268 0.8447
Plasmodium vivax transketolase, putative 0.0036 0.005 0.0392
Loa Loa (eye worm) hypothetical protein 0.0165 0.1501 1
Plasmodium vivax hypothetical protein, conserved 0.0144 0.1268 1
Brugia malayi beta-lactamase family protein 0.0144 0.1268 0.8447
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0144 0.1268 0.1268
Loa Loa (eye worm) hypothetical protein 0.0165 0.1501 1
Onchocerca volvulus 0.0165 0.1501 1
Echinococcus multilocularis transketolase 0.0056 0.0281 0.1873
Trypanosoma brucei hypothetical protein, conserved 0.0144 0.1268 0.502
Loa Loa (eye worm) hypothetical protein 0.0056 0.0281 0.1873
Onchocerca volvulus 0.0165 0.1501 1
Trichomonas vaginalis D-aminoacylase, putative 0.0144 0.1268 1
Entamoeba histolytica transketolase, putative 0.0056 0.0281 1
Plasmodium falciparum transketolase 0.0036 0.005 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.1268 0.8447
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0144 0.1268 0.1268
Mycobacterium ulcerans transketolase 0.0056 0.0281 0.0498
Brugia malayi hypothetical protein 0.0165 0.1501 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0144 0.1268 0.8447
Schistosoma mansoni cercarial elastase (S01 family) 0.0165 0.1501 1
Entamoeba histolytica transketolase, putative 0.0056 0.0281 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.1268 0.8447
Chlamydia trachomatis transketolase 0.0056 0.0281 1
Trypanosoma brucei beta lactamase 0.0256 0.2525 1
Loa Loa (eye worm) hypothetical protein 0.0165 0.1501 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.1268 0.8447
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0165 0.1501 1
Loa Loa (eye worm) trypsin family protein 0.0165 0.1501 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0165 0.1501 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0165 0.1501 1
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0534 0.5643 1
Trypanosoma cruzi hypothetical protein, conserved 0.0144 0.1268 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0165 0.1501 1
Brugia malayi Trypsin family protein 0.0165 0.1501 1
Brugia malayi Trypsin family protein 0.0165 0.1501 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0165 0.1501 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.1268 0.8447
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0165 0.1501 1
Echinococcus granulosus glycoprotein Antigen 5 0.0165 0.1501 1
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0165 0.1501 1
Mycobacterium tuberculosis Conserved protein 0.0144 0.1268 0.1268
Brugia malayi Trypsin family protein 0.0165 0.1501 1
Entamoeba histolytica transketolase, putative 0.0036 0.005 0.1768
Loa Loa (eye worm) beta-lactamase 0.0144 0.1268 0.8447
Schistosoma mansoni cercarial elastase (S01 family) 0.0165 0.1501 1
Brugia malayi transketolase 0.0056 0.0281 0.1873
Trypanosoma cruzi transketolase, putative 0.0056 0.0281 0.2217
Mycobacterium leprae Probable lipase LipE 0.0144 0.1268 0.502
Echinococcus multilocularis enteropeptidase 0.0165 0.1501 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0165 0.1501 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0165 0.1501 1
Entamoeba histolytica transketolase, putative 0.0056 0.0281 1
Giardia lamblia Transketolase 0.0036 0.005 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0144 0.1268 1
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0165 0.1501 1
Trichomonas vaginalis transketolase, putative 0.0056 0.0281 0.19
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0165 0.1501 1
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0534 0.5643 0.5643
Mycobacterium ulcerans esterase/lipase LipP 0.0144 0.1268 0.2247
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0256 0.2525 1
Mycobacterium ulcerans lipoprotein LpqF 0.0256 0.2525 0.4475
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0165 0.1501 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0165 0.1501 1
Trichomonas vaginalis D-aminoacylase, putative 0.0144 0.1268 1
Mycobacterium ulcerans hypothetical protein 0.0165 0.1501 0.2659
Schistosoma mansoni cercarial elastase (S01 family) 0.0165 0.1501 1
Onchocerca volvulus 0.0165 0.1501 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0144 0.1268 0.1268
Brugia malayi beta-lactamase 0.0144 0.1268 0.8447
Loa Loa (eye worm) hypothetical protein 0.0144 0.1268 0.8447
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0256 0.2525 0.2525
Echinococcus multilocularis transmembrane protease serine 3 0.0165 0.1501 1
Onchocerca volvulus 0.0165 0.1501 1
Mycobacterium ulcerans hypothetical protein 0.0144 0.1268 0.2247

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) < 35 % Percent inhibition against metabotropic glutamate receptor 5 (mGluR5) at 10 uM ChEMBL. 15878659
Inhibition (binding) < 35 % Percent inhibition against metabotropic glutamate receptor 5 (mGluR5) at 10 uM ChEMBL. 15878659

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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