Detailed information for compound 1443170

Basic information

Technical information
  • TDR Targets ID: 1443170
  • Name: N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide; oxalic acid
  • MW: 368.383 | Formula: C20H20N2O5
  • H donors: 4 H acceptors: 5 LogP: 2.97 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(=O)O.O=C(Cc1ccccc1)NCCc1c[nH]c2c1cccc2
  • InChi: 1S/C18H18N2O.C2H2O4/c21-18(12-14-6-2-1-3-7-14)19-11-10-15-13-20-17-9-5-4-8-16(15)17;3-1(4)2(5)6/h1-9,13,20H,10-12H2,(H,19,21);(H,3,4)(H,5,6)
  • InChiKey: SRCGJMUYYRKJFR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-acetamide; oxalic acid
  • ethanedioic acid; N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-ethanamide
  • MLS001207998
  • SMR000518111
  • N-[2-(1H-Indol-3-yl)-ethyl]-2-phenyl-acetamide

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
Brugia malayi Protein kinase domain containing protein 0.3834 0.3691 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0474 0 0.5
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0474 0 0.5
Trichomonas vaginalis beta-hexosaminidase B, putative 0.0474 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0474 0 0.5
Trichomonas vaginalis hypothetical protein 0.0474 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0474 0 0.5
Schistosoma mansoni btb and poz domain-containing protein 0.0474 0 0.5
Mycobacterium leprae PROBABLE CONSERVED TRANSMEMBRANE PROTEIN 0.0474 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0474 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0474 0 0.5
Schistosoma mansoni hypothetical protein 0.0474 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0474 0 0.5
Echinococcus multilocularis discoidin domain containing receptor 2 0.0474 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0474 0 0.5
Toxoplasma gondii F5/8 type C domain-containing protein 0.0474 0 0.5
Loa Loa (eye worm) hypothetical protein 0.3786 0.3638 1
Echinococcus granulosus discoidin domain receptor 0.3786 0.3638 0.3638
Echinococcus multilocularis discoidin domain receptor 0.0474 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0474 0 0.5
Toxoplasma gondii PA14 domain-containing protein 0.0474 0 0.5
Onchocerca volvulus 0.3834 0.3691 1
Trichomonas vaginalis conserved hypothetical protein 0.0474 0 0.5
Plasmodium falciparum LCCL domain-containing protein 0.0474 0 0.5
Echinococcus multilocularis discoidin domain containing receptor 2 0.0474 0 0.5
Plasmodium falciparum LCCL domain-containing protein 0.0474 0 0.5
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0474 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0474 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0474 0 0.5
Toxoplasma gondii F5/8 type C domain-containing protein 0.0474 0 0.5
Echinococcus multilocularis discoidin domain containing receptor 2 0.0474 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0474 0 0.5
Schistosoma mansoni dock 0.0474 0 0.5
Plasmodium vivax LCCL domain-containing protein 0.0474 0 0.5
Schistosoma mansoni discoidin domain receptor 0.0474 0 0.5
Loa Loa (eye worm) TK/DDR protein kinase 0.336 0.317 0.8714
Loa Loa (eye worm) hypothetical protein 0.336 0.317 0.8714
Trichomonas vaginalis conserved hypothetical protein 0.0474 0 0.5
Toxoplasma gondii F5/8 type C domain-containing protein 0.0474 0 0.5
Mycobacterium tuberculosis Possible arabinofuranosyltransferase AftD 0.0474 0 0.5
Schistosoma mansoni septate junction protein 0.0474 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0474 0 0.5
Schistosoma mansoni discoidin domain receptor 0.0474 0 0.5
Echinococcus multilocularis nuclear receptor 2C2 associated protein 0.0474 0 0.5
Plasmodium vivax LCCL domain-containing protein 0.0474 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0474 0 0.5
Echinococcus multilocularis Coagulation factor 5 8 type, C terminal 0.0474 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0415 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 0.7943 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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.

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