Detailed information for compound 258667

Basic information

Technical information
  • TDR Targets ID: 258667
  • Name: 4-[2-[2-(5-chloro-2-piperidin-1-ylphenyl)prop an-2-ylamino]-2-oxoethyl]benzoic acid
  • MW: 414.925 | Formula: C23H27ClN2O3
  • H donors: 2 H acceptors: 3 LogP: 4.34 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC(c1cc(Cl)ccc1N1CCCCC1)(C)C)Cc1ccc(cc1)C(=O)O
  • InChi: 1S/C23H27ClN2O3/c1-23(2,25-21(27)14-16-6-8-17(9-7-16)22(28)29)19-15-18(24)10-11-20(19)26-12-4-3-5-13-26/h6-11,15H,3-5,12-14H2,1-2H3,(H,25,27)(H,28,29)
  • InChiKey: OBJHHHOZIZBPLI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[2-[[1-[5-chloro-2-(1-piperidyl)phenyl]-1-methyl-ethyl]amino]-2-oxo-ethyl]benzoic acid
  • 4-[2-[[1-[5-chloro-2-(1-piperidyl)phenyl]-1-methylethyl]amino]-2-oxoethyl]benzoic acid
  • 4-[2-[2-(5-chloro-2-piperidin-1-yl-phenyl)propan-2-ylamino]-2-oxo-ethyl]benzoic acid
  • 4-[2-[[1-(5-chloro-2-piperidino-phenyl)-1-methyl-ethyl]amino]-2-keto-ethyl]benzoic acid

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 leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0158 0.4243 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0945 0.1872
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0158 0.4243 0.4243
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0158 0.4243 1
Brugia malayi Pre-SET motif family protein 0.0243 0.7135 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.4229 0.4204
Echinococcus granulosus tar DNA binding protein 0.0061 0.0945 0.0945
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0158 0.4243 1
Onchocerca volvulus 0.0277 0.8279 1
Echinococcus multilocularis geminin 0.0176 0.486 0.4838
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0049 0.0012
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0066 0.1095 0.1482
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0066 0.1095 0.1482
Brugia malayi follicle stimulating hormone receptor 0.0224 0.6495 0.9097
Schistosoma mansoni hypothetical protein 0.0176 0.486 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0049 0.0007
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0049 0.5
Echinococcus granulosus muscleblind protein 0.0159 0.4264 0.4264
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0158 0.4243 0.5922
Onchocerca volvulus 0.0091 0.1964 0.2332
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0945 0.1872
Schistosoma mansoni alpha-glucosidase 0.0136 0.3481 0.7137
Loa Loa (eye worm) GMP reductase 0.0066 0.1095 0.1482
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0158 0.4243 0.4218
Loa Loa (eye worm) RNA binding protein 0.0061 0.0945 0.1272
Loa Loa (eye worm) IMP dehydrogenase 1 0.0158 0.4243 0.5922
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0049 0.0007
Echinococcus multilocularis tar DNA binding protein 0.0061 0.0945 0.0906
Brugia malayi Muscleblind-like protein 0.0159 0.4264 0.5951
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.0945 0.1272
Loa Loa (eye worm) hypothetical protein 0.0159 0.4264 0.5951
Brugia malayi RNA binding protein 0.0061 0.0945 0.1272
Loa Loa (eye worm) TAR-binding protein 0.0061 0.0945 0.1272
Schistosoma mansoni hypothetical protein 0.004 0.0212 0.0349
Schistosoma mansoni alpha-glucosidase 0.0136 0.3481 0.7137
Schistosoma mansoni hypothetical protein 0.0176 0.486 1
Echinococcus multilocularis muscleblind protein 1 0.0159 0.4264 0.4239
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0212 0.0237
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0149 0.3923 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.0839 0.1122
Schistosoma mansoni alpha glucosidase 0.0035 0.0049 0.001
Loa Loa (eye worm) hypothetical protein 0.0159 0.4264 0.5951
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0158 0.4243 0.8719
Echinococcus granulosus lysosomal alpha glucosidase 0.0158 0.4229 0.4229
Onchocerca volvulus 0.0048 0.0487 0.0539
Loa Loa (eye worm) hypothetical protein 0.0058 0.0839 0.1122
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0158 0.4243 0.5
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0149 0.3923 0.8869
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0487 0.0921
Trypanosoma cruzi GMP reductase 0.0158 0.4243 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0158 0.4229 0.5903
Echinococcus multilocularis tumor protein p63 0.0327 1 1
Echinococcus granulosus geminin 0.0176 0.486 0.486
Trypanosoma cruzi GMP reductase 0.0158 0.4243 1
Leishmania major guanosine monophosphate reductase 0.0158 0.4243 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.0839 0.1122
Brugia malayi Glycosyl hydrolases family 31 protein 0.0158 0.4229 0.5903
Trichomonas vaginalis set domain proteins, putative 0.0277 0.8279 1
Echinococcus multilocularis muscleblind protein 0.0159 0.4264 0.4239
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0149 0.3923 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0049 0.5
Brugia malayi GMP reductase 0.0066 0.1095 0.1482
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.0839 0.1122
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0945 0.1872
Loa Loa (eye worm) hypothetical protein 0.004 0.0212 0.0237
Brugia malayi TAR-binding protein 0.0061 0.0945 0.1272
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0945 0.1872
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.0044 0.0044
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0243 0.7135 1
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0158 0.4243 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0224 0.6495 0.9097
Toxoplasma gondii IMP dehydrogenas 0.0158 0.4243 1
Leishmania major inosine-5-monophosphate dehydrogenase 0.0158 0.4243 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0945 0.1872
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.4229 0.4204
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0049 0.0005
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0083 0.1685 0.0954
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0049 0.0049
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0158 0.4243 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0158 0.4243 1
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.0945 0.1272
Onchocerca volvulus Putative GMP reductase 0.0066 0.1095 0.1276
Loa Loa (eye worm) hypothetical protein 0.0048 0.0487 0.0626
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0158 0.4243 1
Trypanosoma brucei GMP reductase 0.0158 0.4243 1

Activities

Activity type Activity value Assay description Source Reference
Delta BG (functional) NA 0 % Maximum % decrease of blood glucose (deltaBG) of the compound was observed within 4 hour after administration orally at 10 mg/kg dose to fasted adult female rats versus a control group; NS =' not significant' ChEMBL. 9857091

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

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.