Detailed information for compound 146809

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 334.369 | Formula: C20H18N2O3
  • H donors: 1 H acceptors: 2 LogP: 4.14 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)C1=NOC(=O)/C/1=C\c1ccc(cc1)N1CCCC1
  • InChi: 1S/C20H18N2O3/c23-17-9-5-15(6-10-17)19-18(20(24)25-21-19)13-14-3-7-16(8-4-14)22-11-1-2-12-22/h3-10,13,23H,1-2,11-12H2/b18-13-
  • InChiKey: PFTGETJOLHYFLD-AQTBWJFISA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens androgen receptor Starlite/ChEMBL References

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
Toxoplasma gondii isoprenylcysteine carboxyl methyltransferase (icmt) family protein 0.0113 1 0.5
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.0113 1 0.5
Echinococcus granulosus protein S isoprenylcysteine O methyltransferase 0.0113 1 1
Onchocerca volvulus 0.0009 0 0.5
Trypanosoma cruzi prenyl protein specific carboxyl methyltransferase, putative 0.0113 1 0.5
Entamoeba histolytica prenyl cysteine carboxyl methyltransferase, putative 0.0113 1 0.5
Loa Loa (eye worm) protein-S isoprenylcysteine O-methyltransferase 0.0113 1 1
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.0113 1 0.5
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.0113 1 0.5
Entamoeba histolytica prenyl cysteine carboxyl methyltransferase, putative 0.0113 1 0.5
Plasmodium vivax protein-S-isoprenylcysteine O-methyltransferase, putative 0.0113 1 0.5
Plasmodium falciparum protein-S-isoprenylcysteine O-methyltransferase, putative 0.0113 1 0.5
Leishmania major prenyl protein specific carboxyl methyltransferase, putative 0.0113 1 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0009 0 0.5
Echinococcus multilocularis 0.0113 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0009 0 0.5
Mycobacterium ulcerans hypothetical protein 0.0049 0.3869 0.5
Giardia lamblia Isoprenylcysteine carboxyl methyltransferase 0.0113 1 0.5
Trypanosoma cruzi prenyl protein specific carboxyl methyltransferase, putative 0.0113 1 0.5
Schistosoma mansoni protein-s-isoprenylcysteine o-methyltransferase 0.0113 1 1
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0049 0.3869 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0009 0 0.5
Trypanosoma brucei prenyl protein specific carboxyl methyltransferase 0.0113 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 100 Relative receptor-binding activity of the compound was measured as Ki value of flutamide/Ki value of the compound; 100-150 ChEMBL. 12873487
Activity (binding) = 100 Relative receptor-binding activity of the compound was measured as Ki value of flutamide/Ki value of the compound; 100-150 ChEMBL. 12873487
Kd (binding) = 1.4 nM Dissociation constant against GST-hARLBD was measured in SC-3 cell by using [3H]-testosterone as radioligand ChEMBL. 12873487
Kd (binding) = 1.4 nM Dissociation constant against GST-hARLBD was measured in SC-3 cell by using [3H]-testosterone as radioligand ChEMBL. 12873487

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.

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