Detailed information for compound 1751121

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 406.453 | Formula: C23H23FN4O2
  • H donors: 0 H acceptors: 2 LogP: 4.39 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1nc2n(c1N(C(=O)c1ccccc1F)C)cccc2OCCn1cccc1
  • InChi: 1S/C23H23FN4O2/c1-3-19-22(26(2)23(29)17-9-4-5-10-18(17)24)28-14-8-11-20(21(28)25-19)30-16-15-27-12-6-7-13-27/h4-14H,3,15-16H2,1-2H3
  • InChiKey: RSSIJIAUSBBDEX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
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) hypothetical protein 0.0117 0.0027 0.0027
Onchocerca volvulus 0.0213 0.0128 1
Brugia malayi PAN domain containing protein 0.0213 0.0128 0.0128
Echinococcus multilocularis epidermal growth factor receptor 0.4354 0.4496 0.4482
Echinococcus multilocularis epidermal growth factor receptor 0.4354 0.4496 0.4482
Schistosoma mansoni tyrosine kinase 0.4277 0.4415 0.44
Brugia malayi PAN domain containing protein 0.0213 0.0128 0.0128
Loa Loa (eye worm) hypothetical protein 0.0117 0.0027 0.0027
Echinococcus multilocularis 0.1251 0.1223 0.1199
Schistosoma mansoni tyrosine kinase 0.4354 0.4496 0.4482
Onchocerca volvulus 0.0213 0.0128 1
Brugia malayi Protein kinase domain containing protein 0.5295 0.5489 0.5489
Loa Loa (eye worm) hypothetical protein 0.0213 0.0128 0.0128
Onchocerca volvulus 0.0213 0.0128 1
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0117 0.0027 0.0027
Loa Loa (eye worm) TK/INSR protein kinase 0.9573 1 1
Loa Loa (eye worm) hypothetical protein 0.0117 0.0027 0.0027
Brugia malayi PAN domain containing protein 0.0213 0.0128 0.0128
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.4354 0.4496 0.4482
Onchocerca volvulus 0.0213 0.0128 1
Brugia malayi PAN domain containing protein 0.0213 0.0128 0.0128
Schistosoma mansoni tyrosine kinase 0.4354 0.4496 0.4482
Echinococcus granulosus insulin receptor 0.9573 1 1
Schistosoma mansoni tyrosine kinase 0.9573 1 1
Toxoplasma gondii PAN domain-containing protein 0.3305 0.3389 1
Brugia malayi PAN domain containing protein 0.0213 0.0128 0.0128
Brugia malayi PAN domain containing protein 0.0213 0.0128 0.0128
Onchocerca volvulus 0.0213 0.0128 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.9573 1 1
Mycobacterium ulcerans hypothetical protein 0.0117 0.0027 0.5
Brugia malayi hypothetical protein 0.0117 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.0213 0.0128 0.0128
Toxoplasma gondii PAN domain-containing protein 0.3305 0.3389 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.9573 1 1
Onchocerca volvulus 0.0213 0.0128 1
Echinococcus granulosus epidermal growth factor receptor 0.4354 0.4496 0.4482
Loa Loa (eye worm) PAN domain-containing protein 0.0213 0.0128 0.0128
Brugia malayi PAN domain containing protein 0.0213 0.0128 0.0128
Loa Loa (eye worm) PAN domain-containing protein 0.0213 0.0128 0.0128
Loa Loa (eye worm) PAN domain-containing protein 0.0213 0.0128 0.0128
Loa Loa (eye worm) TK/EGFR protein kinase 0.4354 0.4496 0.4496
Loa Loa (eye worm) hypothetical protein 0.5218 0.5407 0.5407
Brugia malayi PAN domain containing protein 0.0213 0.0128 0.0128
Brugia malayi PAN domain containing protein 0.0213 0.0128 0.0128
Loa Loa (eye worm) PAN domain-containing protein 0.0213 0.0128 0.0128
Loa Loa (eye worm) hypothetical protein 0.0213 0.0128 0.0128
Onchocerca volvulus 0.0213 0.0128 1
Schistosoma mansoni tyrosine kinase 0.4354 0.4496 0.4482
Loa Loa (eye worm) hypothetical protein 0.0117 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.0117 0.0027 0.0027
Brugia malayi Trypsin family protein 0.0117 0.0027 0.0027
Loa Loa (eye worm) PAN domain-containing protein 0.0213 0.0128 0.0128
Schistosoma mansoni tyrosine kinase 0.4277 0.4415 0.44
Brugia malayi Trypsin family protein 0.0117 0.0027 0.0027
Onchocerca volvulus 0.0213 0.0128 1
Onchocerca volvulus 0.0213 0.0128 1
Loa Loa (eye worm) hypothetical protein 0.0213 0.0128 0.0128
Brugia malayi Furin-like cysteine rich region family protein 0.4354 0.4496 0.4496
Schistosoma mansoni tyrosine kinase 0.9573 1 1
Loa Loa (eye worm) hypothetical protein 0.0213 0.0128 0.0128
Brugia malayi Trypsin-like protease protein 5 0.0117 0.0027 0.0027
Onchocerca volvulus 0.0213 0.0128 1
Loa Loa (eye worm) hypothetical protein 0.0117 0.0027 0.0027
Brugia malayi PAN domain containing protein 0.0213 0.0128 0.0128
Onchocerca volvulus 0.0213 0.0128 1
Loa Loa (eye worm) trypsin family protein 0.0117 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.0213 0.0128 0.0128
Echinococcus granulosus epidermal growth factor receptor 0.4354 0.4496 0.4482
Loa Loa (eye worm) hypothetical protein 0.0117 0.0027 0.0027
Brugia malayi Trypsin family protein 0.0117 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.0213 0.0128 0.0128
Echinococcus multilocularis insulin receptor 0.9573 1 1
Schistosoma mansoni tyrosine kinase 0.4277 0.4415 0.44
Brugia malayi Trypsin family protein 0.0117 0.0027 0.0027

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.