Detailed information for compound 1300462

Basic information

Technical information
  • TDR Targets ID: 1300462
  • Name: 1-(1-phenylethyl)-4-(4-phenylpiperazine-1-car bonyl)pyrrolidin-2-one
  • MW: 377.479 | Formula: C23H27N3O2
  • H donors: 0 H acceptors: 2 LogP: 2.38 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CC(=O)N(C1)C(c1ccccc1)C)N1CCN(CC1)c1ccccc1
  • InChi: 1S/C23H27N3O2/c1-18(19-8-4-2-5-9-19)26-17-20(16-22(26)27)23(28)25-14-12-24(13-15-25)21-10-6-3-7-11-21/h2-11,18,20H,12-17H2,1H3
  • InChiKey: JZSLYUQGTYYXFU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[oxo-(4-phenyl-1-piperazinyl)methyl]-1-(1-phenylethyl)-2-pyrrolidinone
  • 1-(1-phenylethyl)-4-(4-phenylpiperazine-1-carbonyl)-2-pyrrolidone
  • 1-(1-phenylethyl)-4-(4-phenylpiperazin-1-yl)carbonyl-pyrrolidin-2-one
  • MLS000120171
  • SMR000097088

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 smad1 5 8 and 0.0042 0.0474 0.0515
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.0013 0.0003 0.5
Echinococcus granulosus mothers against decapentaplegic 2 0.0019 0.0089 0.0094
Trichomonas vaginalis dullard protein, putative 0.0013 0.0003 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0042 0.0474 0.0474
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0309 0.4951 0.5
Schistosoma mansoni smad1 5 8 and 0.0042 0.0474 0.0515
Schistosoma mansoni Smad4 0.0019 0.0089 0.0097
Loa Loa (eye worm) MH1 domain-containing protein 0.0042 0.0474 0.0474
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.0013 0.0003 0.5
Echinococcus granulosus TGF beta signal transducer SmadC 0.0042 0.0474 0.0512
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0518 0.0562
Toxoplasma gondii Dullard family phosphatase domain-containing protein 0.0013 0.0003 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0518 0.0562
Schistosoma mansoni smad 0.0042 0.0474 0.0515
Schistosoma mansoni Smad4 0.0019 0.0089 0.0097
Trichomonas vaginalis dullard protein, putative 0.0013 0.0003 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0013 0.0003 0.5
Schistosoma mansoni hypothetical protein 0.0564 0.9217 1
Schistosoma mansoni Smad4 0.0042 0.0474 0.0515
Loa Loa (eye worm) MH2 domain-containing protein 0.0611 1 1
Schistosoma mansoni smad 0.0019 0.0089 0.0097
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0042 0.0474 0.0515
Schistosoma mansoni smad1 5 8 and 0.0042 0.0474 0.0515
Echinococcus granulosus Smad4 0.0042 0.0474 0.0512
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0518 0.0559
Trichomonas vaginalis dullard protein, putative 0.0013 0.0003 0.5
Echinococcus multilocularis mothers against decapentaplegic 6 0.0019 0.0089 0.0094
Brugia malayi MH1 domain containing protein 0.0042 0.0474 0.0472
Loa Loa (eye worm) hypothetical protein 0.0013 0.0003 0.0003
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0518 0.0559
Brugia malayi MH1 domain containing protein 0.0023 0.0163 0.016
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0042 0.0474 0.0512
Loa Loa (eye worm) hypothetical protein 0.0023 0.0163 0.0163
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.0013 0.0003 0.0003
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0309 0.4951 0.5
Echinococcus granulosus mothers against decapentaplegic 5 0.0042 0.0474 0.0512
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0309 0.4951 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0518 0.0515
Brugia malayi Smad1 0.0042 0.0474 0.0472
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0518 0.0518
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.0013 0.0003 0.5
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0019 0.0089 0.5
Loa Loa (eye worm) Smad1 0.0042 0.0474 0.0474
Echinococcus multilocularis mothers against decapentaplegic 2 0.0019 0.0089 0.0094
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.0013 0.0003 0.5
Loa Loa (eye worm) MH1 domain-containing protein 0.0019 0.0089 0.0089
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0309 0.4951 1
Echinococcus multilocularis smad 0.0042 0.0474 0.0512
Brugia malayi mothers against decapentaplegic homolog 3 0.0019 0.0089 0.0086
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0518 0.0562
Brugia malayi MH2 domain containing protein 0.0019 0.0089 0.0086
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0309 0.4951 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0518 0.0559
Loa Loa (eye worm) MH2 domain-containing protein 0.0019 0.0089 0.0089
Echinococcus multilocularis Smad4 0.0042 0.0474 0.0512
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0518 0.0559
Schistosoma mansoni hypothetical protein 0.0564 0.9217 1
Trypanosoma brucei Mitochondrial import inner membrane translocase subunit TIM50 0.0013 0.0003 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0611 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0089 0.0089
Treponema pallidum hypothetical protein 0.0309 0.4951 0.5
Giardia lamblia Nuclear LIM interactor-interacting factor 1 0.0013 0.0003 0.5
Echinococcus granulosus smad 0.0042 0.0474 0.0512
Echinococcus granulosus mothers against decapentaplegic 6 0.0019 0.0089 0.0094
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.0013 0.0003 0.0003
Entamoeba histolytica NLI interacting factor-like phosphatase domain-containing protein 0.0013 0.0003 0.5
Loa Loa (eye worm) nuclear factor I 0.0023 0.0163 0.0163
Brugia malayi MH2 domain containing protein 0.0042 0.0474 0.0472
Echinococcus multilocularis mothers against decapentaplegic 5 0.0042 0.0474 0.0512
Echinococcus granulosus geminin 0.0564 0.9217 1
Echinococcus multilocularis geminin 0.0564 0.9217 1
Brugia malayi MH1 domain containing protein 0.0042 0.0474 0.0472
Brugia malayi MH1 domain containing protein 0.0023 0.0163 0.016
Leishmania major hypothetical protein, conserved 0.0013 0.0003 0.5
Brugia malayi MH2 domain containing protein 0.0042 0.0474 0.0472

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.2944 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.

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