Detailed information for compound 2073076

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 516.542 | Formula: C29H28N2O7
  • H donors: 2 H acceptors: 5 LogP: 5.26 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)CN([C@H](c1ccc(cc1)OCCc1nc(oc1C)c1ccccc1)C)C(=O)Oc1ccc(cc1)O
  • InChi: 1S/C29H28N2O7/c1-19(31(18-27(33)34)29(35)38-25-14-10-23(32)11-15-25)21-8-12-24(13-9-21)36-17-16-26-20(2)37-28(30-26)22-6-4-3-5-7-22/h3-15,19,32H,16-18H2,1-2H3,(H,33,34)/t19-/m0/s1
  • InChiKey: GGZBHHZGRBLGOB-IBGZPJMESA-N  


Substructure search Similarity search

Network

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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
Entamoeba histolytica probable proteasome subunit beta type 2, putative 0.0041 0.0116 0.05
Mycobacterium tuberculosis Conserved protein 0.0068 0.0298 0.0298
Trypanosoma brucei proteasome subunit beta type-2, putative 0.0041 0.0116 0.0192
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.0055 0.021 0.1023
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0068 0.0298 0.1516
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0055 0.0209 0.1019
Brugia malayi protein-S isoprenylcysteine O-methyltransferase, putative 0.0055 0.021 0.1023
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.0055 0.021 0.1023
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0068 0.0298 0.0298
Echinococcus granulosus Proteasome subunit alpha type 7 0.0028 0.0026 0.0044
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0041 0.0116 0.05
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0028 0.0026 0.0044
Echinococcus granulosus protein S isoprenylcysteine O methyltransferase 0.0055 0.021 0.1062
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0041 0.0116 0.0542
Onchocerca volvulus 0.0068 0.0298 1
Echinococcus multilocularis proteasome subunit beta type 6 0.0028 0.0026 0.0044
Echinococcus multilocularis proteasome (prosome macropain) subunit beta type 0.0028 0.0026 0.0044
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0433 0.278 0.278
Mycobacterium ulcerans proteasome PrcA 0.0028 0.0026 0.0026
Echinococcus multilocularis subfamily T1A non peptidase ue 0.0028 0.0026 0.0044
Echinococcus granulosus nmda type glutamate receptor 0.0029 0.0037 0.0108
Trypanosoma cruzi hypothetical protein, conserved 0.0068 0.0298 0.1516
Brugia malayi beta-lactamase 0.0068 0.0298 0.1516
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0068 0.0298 0.1516
Trypanosoma brucei hypothetical protein, conserved 0.0068 0.0298 0.0581
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0068 0.0298 0.0298
Loa Loa (eye worm) hypothetical protein 0.0068 0.0298 0.1516
Echinococcus multilocularis proteasome (prosome, macropain) 0.0292 0.1824 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0068 0.0298 0.0298
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0292 0.1824 0.3835
Schistosoma mansoni proteasome subunit alpha 2 (T01 family) 0.0028 0.0026 0.0044
Loa Loa (eye worm) hypothetical protein 0.0068 0.0298 0.1516
Leishmania major hypothetical protein, conserved 0.0068 0.0298 0.1516
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.1496 1 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent protease peptidase subunit 0.0028 0.0026 0.5
Mycobacterium tuberculosis Probable lipase LipE 0.0068 0.0298 0.0298
Trichomonas vaginalis esterase, putative 0.0068 0.0298 0.1516
Mycobacterium ulcerans esterase/lipase LipP 0.0068 0.0298 0.0298
Schistosoma mansoni proteasome subunit alpha 1 (T01 family) 0.0028 0.0026 0.0044
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0292 0.1824 0.3835
Plasmodium falciparum proteasome subunit beta type-5 0.0292 0.1824 1
Leishmania major proteasome beta 5 subunit, putative 0.0292 0.1824 1
Schistosoma mansoni proteasome subunit beta 3 (T01 family) 0.0028 0.0026 0.0044
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0055 0.0209 0.1019
Echinococcus multilocularis proteasome subunit alpha type 6 0.0028 0.0026 0.0044
Entamoeba histolytica prenyl cysteine carboxyl methyltransferase, putative 0.0055 0.021 0.1023
Loa Loa (eye worm) hypothetical protein 0.0068 0.0298 0.1516
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0028 0.0026 0.0044
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0292 0.1824 1
Trichomonas vaginalis D-aminoacylase, putative 0.0068 0.0298 0.1516
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0292 0.1824 1
Echinococcus granulosus proteasome subunit beta type 7 0.0028 0.0026 0.0044
Echinococcus granulosus 20S proteasome subunit alpha 6 0.0028 0.0026 0.0044
Echinococcus granulosus proteasome subunit alpha type 2 0.0028 0.0026 0.0044
Loa Loa (eye worm) hypothetical protein 0.0068 0.0298 0.1516
Trichomonas vaginalis penicillin-binding protein, putative 0.0068 0.0298 0.1516
Plasmodium vivax proteasome subunit beta type-1, putative 0.0055 0.0209 0.1019
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0029 0.0037 0.0108
Giardia lamblia Proteasome subunit beta type 2 0.0041 0.0116 0.05
Mycobacterium ulcerans lipoprotein LpqF 0.0718 0.4716 0.4716
Mycobacterium ulcerans proteasome PrcB 0.0292 0.1824 0.1824
Schistosoma mansoni proteasome catalytic subunit 1 (T01 family) 0.0028 0.0026 0.0044
Brugia malayi beta-lactamase family protein 0.0068 0.0298 0.1516
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0718 0.4716 0.4716
Toxoplasma gondii proteasome subunit beta type 2, putative 0.0041 0.0116 0.05
Echinococcus granulosus proteasome subunit alpha type 6 0.0028 0.0026 0.0044
Echinococcus multilocularis proteasome subunit beta (t family) proteasome (prosome macropain) subunit beta 0.0028 0.0026 0.0044
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0041 0.0116 0.05
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0055 0.0209 0.1019
Brugia malayi Proteasome A-type and B-type family protein 0.0292 0.1824 1
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0292 0.1824 1
Echinococcus granulosus proteasome prosome macropain subunit beta type 0.0028 0.0026 0.0044
Loa Loa (eye worm) hypothetical protein 0.0068 0.0298 0.1516
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0068 0.0298 0.1553
Trypanosoma brucei beta lactamase 0.0718 0.4716 1
Plasmodium vivax protein-S-isoprenylcysteine O-methyltransferase, putative 0.0055 0.021 0.1023
Trypanosoma cruzi hypothetical protein, conserved 0.0068 0.0298 0.1516
Trypanosoma brucei prenyl protein specific carboxyl methyltransferase 0.0055 0.021 0.0392
Echinococcus granulosus Proteasome subunit alpha beta 0.0028 0.0026 0.0044
Toxoplasma gondii ABC1 family protein 0.0068 0.0298 0.1516
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0055 0.0209 0.1019
Mycobacterium tuberculosis Probable esterase LipL 0.0068 0.0298 0.0298
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0292 0.1824 0.1824
Echinococcus granulosus beta LACTamase domain containing family member 0.0068 0.0298 0.1553
Trypanosoma cruzi prenyl protein specific carboxyl methyltransferase, putative 0.0055 0.021 0.1023
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0718 0.4716 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0068 0.0298 0.1553
Schistosoma mansoni proteasome subunit beta 3 (T01 family) 0.0028 0.0026 0.0044
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.0041 0.0116 0.05
Entamoeba histolytica prenyl cysteine carboxyl methyltransferase, putative 0.0055 0.021 0.1023
Schistosoma mansoni proteasome subunit alpha 7 (T01 family) 0.0028 0.0026 0.0044
Mycobacterium tuberculosis Conserved protein 0.0068 0.0298 0.0298
Onchocerca volvulus 0.0068 0.0298 1
Leishmania major proteasome beta 2 subunit, putative 0.0041 0.0116 0.05
Mycobacterium tuberculosis Probable hydrolase 0.0068 0.0298 0.0298
Plasmodium vivax proteasome subunit beta type-5, putative 0.0292 0.1824 1
Plasmodium falciparum protein-S-isoprenylcysteine O-methyltransferase, putative 0.0055 0.021 0.1023
Echinococcus multilocularis 0.0055 0.021 0.1062
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0028 0.0026 0.0044
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0055 0.0209 0.1019
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0292 0.1824 1
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0055 0.0209 0.1059
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0055 0.0209 0.1019
Mycobacterium leprae Probable lipase LipE 0.0068 0.0298 0.0581
Plasmodium falciparum proteasome subunit beta type-2, putative 0.0041 0.0116 0.05
Toxoplasma gondii isoprenylcysteine carboxyl methyltransferase (icmt) family protein 0.0055 0.021 0.1023
Echinococcus multilocularis proteasome subunit beta type 7 0.0028 0.0026 0.0044
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0292 0.1824 1
Mycobacterium ulcerans hypothetical protein 0.0068 0.0298 0.0298
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0055 0.0209 0.1059
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0041 0.0116 0.0542
Trypanosoma cruzi prenyl protein specific carboxyl methyltransferase, putative 0.0055 0.021 0.1023
Echinococcus granulosus proteasome prosome macropain 0.0292 0.1824 1
Echinococcus multilocularis proteasome subunit alpha type 2 0.0028 0.0026 0.0044
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0041 0.0116 0.0542
Echinococcus granulosus proteasome subunit beta t family 0.0028 0.0026 0.0044
Schistosoma mansoni proteasome subunit alpha 6 (T01 family) 0.0028 0.0026 0.0044
Trichomonas vaginalis D-aminoacylase, putative 0.0068 0.0298 0.1516
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0028 0.0026 0.0044
Brugia malayi proteasome subunit beta type 2 0.0041 0.0116 0.05
Echinococcus multilocularis nmda type glutamate receptor 0.0029 0.0037 0.0108
Loa Loa (eye worm) proteasome subunit beta type 1 0.0055 0.0209 0.1019
Mycobacterium tuberculosis Probable lipase LipD 0.0068 0.0298 0.0298
Schistosoma mansoni proteasome subunit beta 4 (T01 family) 0.0028 0.0026 0.0044
Loa Loa (eye worm) protein-S isoprenylcysteine O-methyltransferase 0.0055 0.021 0.1023
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0068 0.0298 0.0298
Echinococcus granulosus proteasome subunit beta type 6 0.0028 0.0026 0.0044
Giardia lamblia Proteasome subunit beta type 1 0.0055 0.0209 0.1019
Mycobacterium ulcerans beta-lactamase 0.0068 0.0298 0.0298
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0028 0.0026 0.0044
Giardia lamblia Isoprenylcysteine carboxyl methyltransferase 0.0055 0.021 0.1023
Schistosoma mansoni protein-s-isoprenylcysteine o-methyltransferase 0.0055 0.021 0.1062
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0028 0.0026 0.0044
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.0055 0.021 0.1023
Echinococcus granulosus subfamily T1A non peptidase ue 0.0028 0.0026 0.0044
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0055 0.0209 0.1059
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0292 0.1824 1
Toxoplasma gondii proteasome subunit beta type, putative 0.0292 0.1824 1
Leishmania major prenyl protein specific carboxyl methyltransferase, putative 0.0055 0.021 0.1023
Schistosoma mansoni proteasome subunit alpha 3 (T01 family) 0.0028 0.0026 0.0044
Loa Loa (eye worm) beta-lactamase 0.0068 0.0298 0.1516
Brugia malayi proteasome subunit beta type 1 0.0055 0.0209 0.1019
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0028 0.0026 0.0044
Onchocerca volvulus 0.0068 0.0298 1
Loa Loa (eye worm) proteasome subunit beta type 2 0.0041 0.0116 0.05
Echinococcus multilocularis 20S proteasome subunit alpha 6 0.0028 0.0026 0.0044
Loa Loa (eye worm) hypothetical protein 0.0068 0.0298 0.1516
Mycobacterium tuberculosis Conserved protein 0.0068 0.0298 0.0298
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0068 0.0298 0.1553
Schistosoma mansoni proteasome subunit alpha 4 (T01 family) 0.0028 0.0026 0.0044
Plasmodium vivax hypothetical protein, conserved 0.0068 0.0298 0.1516
Mycobacterium leprae conserved hypothetical protein 0.0068 0.0298 0.0581
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0292 0.1824 1
Echinococcus multilocularis proteasome (prosome macropain) subunit alpha 0.0028 0.0026 0.0044
Mycobacterium ulcerans lipase LipD 0.0068 0.0298 0.0298
Plasmodium vivax proteasome subunit beta type-2, putative 0.0041 0.0116 0.05
Trypanosoma cruzi 20S proteasome subunit 0.0041 0.0116 0.05
Trichomonas vaginalis penicillin-binding protein, putative 0.0068 0.0298 0.1516
Trypanosoma brucei proteasome beta 6 subunit 0.0055 0.0209 0.0391
Echinococcus granulosus proteasome prosome macropain subunit alpha 0.0028 0.0026 0.0044
Trichomonas vaginalis D-aminoacylase, putative 0.0068 0.0298 0.1516
Brugia malayi beta-lactamase family protein 0.0068 0.0298 0.1516
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.0028 0.0026 0.0026
Echinococcus multilocularis Proteasome, subunit alpha beta 0.0028 0.0026 0.0044
Schistosoma mansoni proteasome catalytic subunit 2 (T01 family) 0.0028 0.0026 0.0044
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0041 0.0116 0.0542
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0055 0.0209 0.1019

Activities

Activity type Activity value Assay description Source Reference
Retention_time (ADMET) = 48.4 min Drug level in human assessed as retention time treated with 10 mg, po of [14C]peliglitazar by LC-MS and LC-MS/MS analysis ChEMBL. 20978103

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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