Detailed information for compound 1052929

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 363.814 | Formula: C18H19ClFN3O2
  • H donors: 1 H acceptors: 2 LogP: 4.36 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C(/c1cccnc1Oc1ccc(cc1Cl)F)\N1CCCCCC1
  • InChi: 1S/C18H19ClFN3O2/c19-15-12-13(20)7-8-16(15)25-18-14(6-5-9-21-18)17(22-24)23-10-3-1-2-4-11-23/h5-9,12,24H,1-4,10-11H2/b22-17-
  • InChiKey: RSENKNYGCIXKFR-XLNRJJMWSA-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
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0125 0.387 0.6084
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0232 0.0232
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.1295 0.1779
Brugia malayi Calcitonin receptor-like protein seb-1 0.0107 0.3261 0.3261
Trichomonas vaginalis glutaminase, putative 0.0299 1 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0232 0.0232
Loa Loa (eye worm) hypothetical protein 0.0034 0.0675 0.0675
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0232 0.0232
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.1295 0.1295
Loa Loa (eye worm) glutaminase 0.0299 1 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.3261 0.3261
Echinococcus granulosus GPCR family 2 0.0034 0.0675 0.0741
Brugia malayi nuclear hormone receptor 0.0021 0.0232 0.0232
Brugia malayi intermediate filament protein 0.0028 0.0453 0.0453
Schistosoma mansoni thyroid hormone receptor 0.0146 0.4624 0.4496
Loa Loa (eye worm) hypothetical protein 0.0027 0.0435 0.0435
Echinococcus granulosus intermediate filament protein 0.0028 0.0453 0.0369
Schistosoma mansoni lamin 0.0028 0.0453 0.0226
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0675 0.0741
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.1295 0.1779
Schistosoma mansoni hypothetical protein 0.0125 0.387 0.3724
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0232 0.0232
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0232 0.0232
Echinococcus granulosus lamin dm0 0.0028 0.0453 0.0369
Loa Loa (eye worm) hypothetical protein 0.0021 0.0232 0.0232
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0232 0.0232
Schistosoma mansoni hypothetical protein 0.0034 0.0675 0.0453
Loa Loa (eye worm) hypothetical protein 0.0021 0.0232 0.0232
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0232 0.0232
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0232 0.0232
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0232 0.0232
Schistosoma mansoni hypothetical protein 0.0073 0.2064 0.1875
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0232 0.0232
Echinococcus granulosus geminin 0.0191 0.6211 1
Echinococcus multilocularis musashi 0.0028 0.0453 0.0369
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0107 0.3261 0.3261
Echinococcus multilocularis geminin 0.0191 0.6211 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.1295 0.1089
Brugia malayi steroid hormone receptor 0.0021 0.0232 0.0232
Schistosoma mansoni intermediate filament proteins 0.0028 0.0453 0.0226
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0232 0.0232
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0232 0.0232
Schistosoma mansoni hypothetical protein 0.0034 0.0675 0.0453
Brugia malayi ecdysteroid receptor 0.0021 0.0232 0.0232
Onchocerca volvulus 0.0028 0.0453 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0675 0.0675
Loa Loa (eye worm) hypothetical protein 0.0021 0.0232 0.0232
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0232 0.0232
Schistosoma mansoni lamin 0.0028 0.0453 0.0226
Brugia malayi nuclear receptor NHR-88 0.0021 0.0232 0.0232
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0675 0.0741
Schistosoma mansoni glutaminase 0.0299 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0232 0.0232
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0675 0.0675
Schistosoma mansoni hypothetical protein 0.0191 0.6211 0.6121
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.1295 0.1089
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0675 0.0741
Loa Loa (eye worm) glutaminase 2 0.0299 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0073 0.2064 0.2064
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0125 0.387 0.6084
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0232 0.0232
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0453 0.0453
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0232 0.0232
Schistosoma mansoni hypothetical protein 0.0034 0.0675 0.0453
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0232 0.0232
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0232 0.0232
Onchocerca volvulus 0.0028 0.0453 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0232 0.0232
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0453 0.0453
Loa Loa (eye worm) hypothetical protein 0.0021 0.0232 0.0232
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0232 0.0232
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0232 0.0232
Echinococcus multilocularis lamin dm0 0.0028 0.0453 0.0369
Schistosoma mansoni hypothetical protein 0.0191 0.6211 0.6121
Echinococcus multilocularis thyroid hormone receptor alpha 0.0146 0.4624 0.7346
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.1295 0.1295
Loa Loa (eye worm) hypothetical protein 0.0021 0.0232 0.0232
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.1295 0.1089
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0107 0.3261 0.3261
Echinococcus multilocularis GPCR, family 2 0.0034 0.0675 0.0741
Mycobacterium ulcerans glutaminase 0.0299 1 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0675 0.0741
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0232 0.0232
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0453 0.0453
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0232 0.0232
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.1295 0.1779
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0232 0.0232
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0675 0.0675
Loa Loa (eye worm) hypothetical protein 0.0021 0.0232 0.0232
Loa Loa (eye worm) hypothetical protein 0.0028 0.0453 0.0453
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0232 0.0232
Echinococcus granulosus lamin 0.0028 0.0453 0.0369
Echinococcus multilocularis lamin 0.0028 0.0453 0.0369
Schistosoma mansoni thyroid hormone receptor 0.0146 0.4624 0.4496
Loa Loa (eye worm) hypothetical protein 0.0021 0.0232 0.0232
Loa Loa (eye worm) hypothetical protein 0.0073 0.2064 0.2064
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.1295 0.1779
Schistosoma mansoni hypothetical protein 0.0034 0.0675 0.0453

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 11 % DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro at 2 ug.mL-1 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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