Detailed information for compound 1889195

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 310.347 | Formula: C18H18N2O3
  • H donors: 1 H acceptors: 1 LogP: 3.1 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CCc1ccccc1)N/N=C(\c1ccc2c(c1)OCO2)/C
  • InChi: 1S/C18H18N2O3/c1-13(15-8-9-16-17(11-15)23-12-22-16)19-20-18(21)10-7-14-5-3-2-4-6-14/h2-6,8-9,11H,7,10,12H2,1H3,(H,20,21)/b19-13-
  • InChiKey: VSTBRTDVDUNRCD-UYRXBGFRSA-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
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0053 0.096 0.5
Brugia malayi SWIRM domain containing protein 0.018 0.4584 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0168 0.4236 1
Loa Loa (eye worm) hypothetical protein 0.0168 0.4236 0.9187
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0053 0.096 1
Plasmodium vivax hypothetical protein, conserved 0.0053 0.096 1
Brugia malayi hypothetical protein 0.003 0.0308 0.0671
Leishmania major UDP-galactopyranose mutase 0.0053 0.096 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.1308 0.2339
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0053 0.096 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0168 0.4236 1
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0317 0.848 1
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0053 0.096 1
Toxoplasma gondii histone lysine-specific demethylase 0.0053 0.096 1
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0053 0.096 1
Chlamydia trachomatis protoporphyrinogen oxidase 0.0053 0.096 0.5
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0053 0.096 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.096 0.1526
Loa Loa (eye worm) hypothetical protein 0.018 0.4584 1
Onchocerca volvulus 0.018 0.4584 0.5
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.037 1 1
Brugia malayi amine oxidase, flavin-containing family protein 0.0066 0.1308 0.2853
Loa Loa (eye worm) hypothetical protein 0.0053 0.096 0.1526
Trypanosoma cruzi UDP-galactopyranose mutase 0.0053 0.096 1
Brugia malayi hypothetical protein 0.0053 0.096 0.2095
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0168 0.4236 1
Plasmodium falciparum protoporphyrinogen oxidase 0.0053 0.096 1
Plasmodium vivax hypothetical protein, conserved 0.0053 0.096 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0053 0.096 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0308 0.5
Loa Loa (eye worm) hypothetical protein 0.0168 0.4236 0.9187

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 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) 13.1154 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) 35.4813 uM PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory) 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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