Detailed information for compound 1831221

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 399.374 | Formula: C23H14FN3O3
  • H donors: 1 H acceptors: 3 LogP: 4.65 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)c1ccc(cc1c1nc2c(o1)cccn2)NC(=O)c1ccco1
  • InChi: 1S/C23H14FN3O3/c24-15-7-5-14(6-8-15)17-10-9-16(26-22(28)20-4-2-12-29-20)13-18(17)23-27-21-19(30-23)3-1-11-25-21/h1-13H,(H,26,28)
  • InChiKey: SWVURXYLNZNAOT-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Onchocerca volvulus 0.0023 0.0823 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.0794 0.0794
Echinococcus granulosus potassium voltage gated channel protein 0.0085 0.5139 0.5139
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0013 0.0163 0.0155
Loa Loa (eye worm) hypothetical protein 0.0023 0.0823 0.0823
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0013 0.0163 0.0163
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0013 0.0163 0.0163
Brugia malayi intermediate filament protein 0.0023 0.0823 0.1461
Echinococcus multilocularis lamin dm0 0.0023 0.0823 0.0823
Schistosoma mansoni calcium-activated potassium channel 0.0147 0.9475 0.9466
Echinococcus granulosus GPCR family 2 0.0013 0.0163 0.0163
Schistosoma mansoni lamin 0.0023 0.0823 0.0671
Loa Loa (eye worm) hypothetical protein 0.0069 0.4077 0.4077
Echinococcus multilocularis musashi 0.0023 0.0823 0.0823
Brugia malayi Latrophilin receptor protein 2 0.0013 0.0163 0.0155
Echinococcus multilocularis lamin 0.0023 0.0823 0.0823
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0012 0.0084 0.0084
Echinococcus multilocularis GPCR, family 2 0.0013 0.0163 0.0163
Loa Loa (eye worm) latrophilin receptor protein 2 0.0013 0.0163 0.0163
Loa Loa (eye worm) hypothetical protein 0.0085 0.5139 0.5139
Brugia malayi latrophilin 2 splice variant baaae 0.0029 0.1242 0.229
Schistosoma mansoni intermediate filament proteins 0.0023 0.0823 0.0671
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0013 0.0163 0.0163
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0081 0.4881 0.4881
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0042 0.2172 0.4131
Brugia malayi Calcitonin receptor-like protein seb-1 0.0042 0.2172 0.4131
Schistosoma mansoni voltage-gated potassium channel 0.0085 0.5139 0.5059
Schistosoma mansoni voltage-gated potassium channel 0.0085 0.5139 0.5059
Echinococcus granulosus potassium voltage gated channel subfamily A 0.0085 0.5139 0.5139
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.0085 0.5139 1
Echinococcus granulosus intermediate filament protein 0.0023 0.0823 0.0823
Echinococcus granulosus lamin dm0 0.0023 0.0823 0.0823
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0042 0.2172 0.2172
Onchocerca volvulus 0.0023 0.0823 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.2172 0.2172
Echinococcus granulosus lamin 0.0023 0.0823 0.0823
Schistosoma mansoni hypothetical protein 0.0029 0.1242 0.1097
Echinococcus multilocularis potassium voltage gated channel protein 0.0085 0.5139 0.5139
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0023 0.0823 0.0823
Loa Loa (eye worm) hypothetical protein 0.0029 0.1242 0.1242
Loa Loa (eye worm) hypothetical protein 0.0013 0.0163 0.0163
Brugia malayi Intermediate filament tail domain containing protein 0.0023 0.0823 0.1461
Loa Loa (eye worm) hypothetical protein 0.0077 0.4631 0.4631
Schistosoma mansoni lamin 0.0023 0.0823 0.0671
Loa Loa (eye worm) intermediate filament protein 0.0023 0.0823 0.0823
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0013 0.0163 0.0163

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 50 uM Antiparasitic activity against Trypanosoma brucei brucei BF427 assessed as growth inhibition by Alamar Blue assay ChEMBL. 24354316

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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