Detailed information for compound 1704849

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 479.475 | Formula: C26H23F2N3O4
  • H donors: 1 H acceptors: 4 LogP: 3.41 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(C(=O)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3)CC(=O)Nc1c(F)cccc1F
  • InChi: 1S/C26H23F2N3O4/c1-2-30(15-21(32)29-24-19(27)11-5-12-20(24)28)22(33)13-6-14-31-25(34)17-9-3-7-16-8-4-10-18(23(16)17)26(31)35/h3-5,7-12H,2,6,13-15H2,1H3,(H,29,32)
  • InChiKey: JZTQLSKBDMTXFS-UHFFFAOYSA-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 ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0036 0.1253 0.494
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0178 1 1
Brugia malayi Metabotropic glutamate receptor precursor. 0.004 0.1483 0.5923
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2437 0.2363
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0178 1 1
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0033 0.1086 0.0999
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0049 0.2048 0.197
Echinococcus granulosus metabotropic glutamate receptor 2 0.0033 0.1086 0.0999
Entamoeba histolytica hypothetical protein, conserved 0.0178 1 1
Schistosoma mansoni hypothetical protein 0.0178 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2437 0.2363
Schistosoma mansoni metabotropic glutamate receptor 0.0033 0.1086 0.0999
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2437 0.2363
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0017 0.0097 0.5
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0178 1 1
Schistosoma mansoni metabotropic glutamate receptor 0.0019 0.023 0.0134
Toxoplasma gondii exonuclease III APE 0.0017 0.0097 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.2437 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0017 0.0097 0.5
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0017 0.0097 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.2437 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0178 1 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0017 0.0097 0.5
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0017 0.0097 0.0399
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2437 0.2363
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0178 1 1
Brugia malayi metabotropic glutamate receptor type 2 0.0019 0.023 0.0567
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2437 0.2363
Trichomonas vaginalis conserved hypothetical protein 0.0178 1 1
Giardia lamblia Rrm3p helicase 0.0178 1 1
Echinococcus granulosus metabotropic glutamate receptor 5 0.0049 0.2048 0.197
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2437 0.2363
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0178 1 1
Loa Loa (eye worm) glutamate receptor 0.004 0.1483 0.6085
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0045 0.1818 0.1738
Loa Loa (eye worm) hypothetical protein 0.0049 0.2048 0.8404
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0017 0.0097 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2437 0.2363
Entamoeba histolytica DNA repair and recombination protein, putative 0.0178 1 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0178 1 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0178 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0017 0.0097 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2512 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (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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