Detailed information for compound 1263390

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 385.434 | Formula: C20H19NO5S
  • H donors: 2 H acceptors: 4 LogP: 3.5 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: SCCc1c(C(=O)O)n(c2c1cccc2)Cc1cc(OC)ccc1C(=O)O
  • InChi: 1S/C20H19NO5S/c1-26-13-6-7-14(19(22)23)12(10-13)11-21-17-5-3-2-4-15(17)16(8-9-27)18(21)20(24)25/h2-7,10,27H,8-9,11H2,1H3,(H,22,23)(H,24,25)
  • InChiKey: ZMJNJLQDXWPIAF-UHFFFAOYSA-N  

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 folate hydrolase (prostate-specific membrane antigen) 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128101 All targets in OG5_128101
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128101 All targets in OG5_128101
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128101 All targets in OG5_128101
Candida albicans similar to transferrin receptor Get druggable targets OG5_128101 All targets in OG5_128101
Schistosoma mansoni NAALADASE L peptidase (M28 family) Get druggable targets OG5_128101 All targets in OG5_128101
Schistosoma japonicum ko:K01301 glutamate carboxypeptidase II [EC3.4.17.21], putative Get druggable targets OG5_128101 All targets in OG5_128101
Candida albicans hypothetical protein Get druggable targets OG5_128101 All targets in OG5_128101
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 Get druggable targets OG5_128101 All targets in OG5_128101

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
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.6156 0.5789
Schistosoma mansoni hypothetical protein 0.0047 0.0871 0.1601
Loa Loa (eye worm) hypothetical protein 0.0111 0.5742 0.5335
Brugia malayi MH2 domain containing protein 0.0116 0.6156 0.7251
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0871 0.0898
Loa Loa (eye worm) hypothetical protein 0.0147 0.849 0.8346
Schistosoma mansoni hypothetical protein 0.0047 0.0871 0.1601
Brugia malayi latrophilin 2 splice variant baaae 0.0101 0.4963 0.5846
Echinococcus multilocularis GPCR, family 2 0.0047 0.0871 0.0898
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0147 0.849 1
Schistosoma mansoni hypothetical protein 0.0101 0.4963 0.9124
Echinococcus granulosus GPCR family 2 0.0047 0.0871 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0871 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.4963 0.4483
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0163 0.9699 1
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0871 0.1026
Entamoeba histolytica hypothetical protein 0.0035 0 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.6156 0.5789
Schistosoma mansoni hypothetical protein 0.0047 0.0871 0.1601
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0871 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0871 0.0898
Schistosoma mansoni hypothetical protein 0.0047 0.0871 0.1601
Loa Loa (eye worm) hypothetical protein 0.0152 0.8875 0.8768
Entamoeba histolytica hypothetical protein 0.0035 0 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0147 0.849 0.8346
Entamoeba histolytica hypothetical protein 0.0035 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0147 0.849 1
Entamoeba histolytica hypothetical protein 0.0035 0 0.5
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0107 0.544 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0871 0.1026

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 93 nM Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G ChEMBL. 21074428

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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