Detailed information for compound 1549597

Basic information

Technical information
  • TDR Targets ID: 1549597
  • Name: 2-amino-3-[9-(4-fluorophenyl)fluoren-9-yl]sul fanylpropanoic acid
  • MW: 379.447 | Formula: C22H18FNO2S
  • H donors: 2 H acceptors: 2 LogP: 1.76 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C1(SCC(C(=O)O)N)c2ccccc2c2c1cccc2
  • InChi: 1S/C22H18FNO2S/c23-15-11-9-14(10-12-15)22(27-13-20(24)21(25)26)18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h1-12,20H,13,24H2,(H,25,26)
  • InChiKey: DCRGHKLXVWULPR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-amino-3-[9-(4-fluorophenyl)fluoren-9-yl]sulfanyl-propanoic acid
  • 2-amino-3-[[9-(4-fluorophenyl)-9-fluorenyl]thio]propanoic acid
  • 2-amino-3-[[9-(4-fluorophenyl)fluoren-9-yl]thio]propionic acid
  • 27486-79-9
  • NSC126220

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No 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
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus zinc finger protein Ran binding 0.0026 0.03 0.03
Loa Loa (eye worm) hypothetical protein 0.0041 0.0968 0.411
Brugia malayi YY1-associated factor 2 0.0026 0.03 0.1276
Chlamydia trachomatis DNA topoisomerase I 0.0073 0.2354 0.5
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0073 0.2354 0.2354
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0026 0.03 0.5
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0073 0.2354 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0968 0.411
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0026 0.03 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1801 0.7651
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0026 0.03 0.1276
Loa Loa (eye worm) hypothetical protein 0.0026 0.03 0.1276
Trypanosoma cruzi WLM domain containing protein, putative 0.0026 0.03 0.5
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0026 0.03 0.5
Echinococcus granulosus ring and YY1 binding protein 0.0026 0.03 0.03
Trypanosoma cruzi hypothetical protein, conserved 0.0026 0.03 0.5
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0073 0.2354 1
Loa Loa (eye worm) brahma associated protein 0.0073 0.2354 1
Leishmania major hypothetical protein, conserved 0.0026 0.03 0.5
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0026 0.03 0.1276
Echinococcus multilocularis SWI:SNF matrix associated 0.0073 0.2354 0.2354
Loa Loa (eye worm) hypothetical protein 0.0026 0.03 0.1276
Leishmania major hypothetical protein, conserved 0.0026 0.03 0.5
Toxoplasma gondii kinesin motor domain-containing protein 0.0032 0.0574 0.133
Echinococcus multilocularis kinesin family 1 0.0247 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0026 0.03 0.5
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0026 0.03 0.5
Entamoeba histolytica kinesin, putative 0.0032 0.0574 0.5
Leishmania major hypothetical protein, conserved 0.0026 0.03 0.5
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0073 0.2354 1
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0026 0.03 0.03
Echinococcus multilocularis SWI:SNF matrix associated 0.0073 0.2354 0.2354
Echinococcus granulosus SWI:SNF matrix associated 0.0073 0.2354 0.2354
Schistosoma mansoni brg-1 associated factor 0.0073 0.2354 0.274
Brugia malayi brahma associated protein 60 kDa 0.0073 0.2354 1
Schistosoma mansoni fusion 0.0026 0.03 0.035
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0026 0.03 0.5
Schistosoma mansoni RNA binding protein 0.0026 0.03 0.035
Plasmodium falciparum kinesin-5 0.0032 0.0574 0.133
Echinococcus multilocularis zinc finger protein Ran binding 0.0026 0.03 0.03
Trypanosoma brucei hypothetical protein, conserved 0.0026 0.03 0.5
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0073 0.2354 1
Brugia malayi brahma associated protein 60 kDa 0.0073 0.2354 1
Onchocerca volvulus 0.0073 0.2354 1
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0026 0.03 0.03
Schistosoma mansoni hypothetical protein 0.0026 0.03 0.035
Schistosoma mansoni hypothetical protein 0.0041 0.0968 0.1126
Trypanosoma cruzi hypothetical protein, conserved 0.0026 0.03 0.5
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0026 0.03 0.03
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0026 0.03 0.1276
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0073 0.2354 0.2354
Trypanosoma cruzi hypothetical protein, conserved 0.0026 0.03 0.5
Giardia lamblia Kinesin-5 0.0032 0.0574 0.5
Trypanosoma cruzi WLM domain containing protein, putative 0.0026 0.03 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.03 0.1276
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0073 0.2354 1
Loa Loa (eye worm) hypothetical protein 0.006 0.1801 0.7651
Schistosoma mansoni zinc finger protein 0.0026 0.03 0.035
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0073 0.2354 1
Brugia malayi Kinesin motor domain containing protein 0.0032 0.0574 0.2436
Schistosoma mansoni hypothetical protein 0.0073 0.2354 0.274
Leishmania major hypothetical protein, conserved 0.0026 0.03 0.5
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0026 0.03 0.5
Schistosoma mansoni kinesin eg-5 0.0032 0.0574 0.0668
Leishmania major hypothetical protein, conserved 0.0026 0.03 0.5
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0026 0.03 0.1276
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1801 0.7651
Schistosoma mansoni hypothetical protein 0.0073 0.2354 0.274
Loa Loa (eye worm) kinesin-like protein KLP2 0.0032 0.0574 0.2436
Echinococcus multilocularis SWI:SNF matrix associated 0.0073 0.2354 0.2354
Loa Loa (eye worm) hypothetical protein 0.0026 0.03 0.1276
Echinococcus granulosus Zinc finger RanBP2 type 0.0026 0.03 0.03
Schistosoma mansoni hypothetical protein 0.0215 0.8593 1
Echinococcus multilocularis ring and YY1 binding protein 0.0026 0.03 0.03
Brugia malayi SWIB/MDM2 domain containing protein 0.0073 0.2354 1
Schistosoma mansoni hypothetical protein 0.0073 0.2354 0.274
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0026 0.03 0.5
Schistosoma mansoni TRABID protein (C64 family) 0.0026 0.03 0.035
Trichomonas vaginalis conserved hypothetical protein 0.0073 0.2354 0.5
Plasmodium vivax hypothetical protein, conserved 0.0073 0.2354 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.03 0.1276
Chlamydia trachomatis SWIB complex protein 0.0073 0.2354 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1801 0.7651

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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