Detailed information for compound 1375008

Basic information

Technical information
  • TDR Targets ID: 1375008
  • Name: N-[3-[ethyl-(3-methylphenyl)amino]propyl]-5-o xo-1-propan-2-ylpyrrolidine-2-carboxamide
  • MW: 345.479 | Formula: C20H31N3O2
  • H donors: 1 H acceptors: 2 LogP: 2.87 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(c1cccc(c1)C)CCCNC(=O)C1CCC(=O)N1C(C)C
  • InChi: 1S/C20H31N3O2/c1-5-22(17-9-6-8-16(4)14-17)13-7-12-21-20(25)18-10-11-19(24)23(18)15(2)3/h6,8-9,14-15,18H,5,7,10-13H2,1-4H3,(H,21,25)
  • InChiKey: GLYAJMUKIUMFTB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-[ethyl-(3-methylphenyl)amino]propyl]-1-isopropyl-5-oxo-pyrrolidine-2-carboxamide
  • N-[3-[ethyl-(3-methylphenyl)amino]propyl]-1-isopropyl-5-oxo-2-pyrrolidinecarboxamide
  • N-[3-[ethyl-(3-methylphenyl)amino]propyl]-1-isopropyl-5-keto-pyrrolidine-2-carboxamide
  • N-[3-[ethyl-(3-methylphenyl)amino]propyl]-5-oxo-1-propan-2-yl-pyrrolidine-2-carboxamide
  • MLS000521048
  • SMR000131457
  • EU-0097315

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis 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
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative 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
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum expressed 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
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.8596 1 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.0163 0.0147
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.3357 0.3883 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0019 0.0175
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.8596 1 1
Schistosoma mansoni bromodomain containing protein 0.0076 0.0054 0.0038
Brugia malayi Bromodomain containing protein 0.0091 0.0071 0.0071
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0017 0.0003
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0016 0.0001
Schistosoma mansoni inositol monophosphatase 0.0045 0.0017 0.0001
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0017 0.0001
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.8596 1 1
Brugia malayi Bromodomain containing protein 0.0046 0.0019 0.0019
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0017 0.0004
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0049 0.0087
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.3357 0.3883 1
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.3357 0.3883 1
Brugia malayi Inositol-1 0.0045 0.0017 0.0017
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.8596 1 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.3357 0.3883 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0017 0.0003
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.8596 1 1
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.8596 1 1
Plasmodium falciparum dihydroorotate dehydrogenase 0.8596 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0085 0.0065 0.2727
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.0195 0.0463
Loa Loa (eye worm) inositol-1 0.0045 0.0017 0.0062
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.8596 1 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.3357 0.3883 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0017 0.0001
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0195 0.0463
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.3357 0.3883 0.3874
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.8596 1 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0016 0.0001
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0049 0.0087
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0016 0.0016
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.8596 1 1
Brugia malayi Zinc finger, C2H2 type family protein 0.3357 0.3883 0.3883
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0017 0.0004
Onchocerca volvulus 0.0114 0.0098 0.5
Leishmania major dihydroorotate dehydrogenase 0.8596 1 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.3357 0.3883 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.0195 0.0195
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.3357 0.3883 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0017 0.0003
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0017 0.0001
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.3357 0.3883 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0025 0.0512
Schistosoma mansoni dihydroorotate dehydrogenase 0.8596 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0195 0.0463
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0017 0.0003
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.8596 1 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0017 0.0001
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.3357 0.3883 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0022 0.0362
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.8596 1 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.3357 0.3883 1
Schistosoma mansoni inositol monophosphatase 0.0045 0.0017 0.0001
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0017 0.0001
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.3357 0.3883 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.0195 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.0163 0.0147

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) = 11.1345 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference

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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