Detailed information for compound 278707

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 387.408 | Formula: C19H22FN5O3
  • H donors: 1 H acceptors: 3 LogP: 3.05 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCCn1c(Cc2cc(OC)c(c(c2)OC)OC)nc2c1nc(F)nc2N
  • InChi: 1S/C19H22FN5O3/c1-5-6-7-25-14(22-15-17(21)23-19(20)24-18(15)25)10-11-8-12(26-2)16(28-4)13(9-11)27-3/h5,8-9H,1,6-7,10H2,2-4H3,(H2,21,23,24)
  • InChiKey: IJFPXWXSWQFHGT-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
Trichomonas vaginalis cytidine deaminase, putative 0.0118 1 1
Schistosoma mansoni phosphoglucomutase 0.0022 0.1161 0.0199
Brugia malayi Melatonin receptor type 1A 0.0021 0.1049 0.1049
Schistosoma mansoni phosphoglucomutase 0.0022 0.1161 0.0199
Brugia malayi Serotonin receptor 0.0021 0.1049 0.1049
Onchocerca volvulus 0.0118 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Trypanosoma brucei ingi protein (ORF1) 0.0024 0.133 0.133
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Loa Loa (eye worm) TYRA-2 protein 0.0021 0.1049 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Brugia malayi hypothetical protein 0.0021 0.1049 0.1049
Trypanosoma cruzi ribonuclease H1, putative 0.0022 0.1161 0.1161
Schistosoma mansoni phosphoglucomutase 0.0022 0.1161 0.0199
Brugia malayi hypothetical protein 0.0021 0.1049 0.1049
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Brugia malayi neuropeptide F receptor 0.0021 0.1049 0.1049
Brugia malayi Dopamine receptor protein 2 0.0021 0.1049 0.1049
Trichomonas vaginalis cytidine deaminase, putative 0.0118 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Brugia malayi hypothetical protein 0.0021 0.1049 0.1049
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0021 0.1049 1
Brugia malayi ORL1-like opioid receptor 0.0021 0.1049 0.1049
Brugia malayi RNase H family protein 0.0022 0.1161 0.1161
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Brugia malayi larval opioid receptor 0.0021 0.1049 0.1049
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0021 0.1049 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0021 0.1049 1
Trypanosoma brucei ingi protein (ORF1) 0.0024 0.133 0.133
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Brugia malayi putative neuropeptide receptor NPR1 0.0021 0.1049 0.1049
Brugia malayi neuropeptide F receptor 0.0021 0.1049 0.1049
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Echinococcus granulosus cytidine deaminase 0.0118 1 1
Toxoplasma gondii cytidine and deoxycytidylate deaminase zinc-binding region domain-containing protein 0.0118 1 1
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0024 0.133 0.133
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Brugia malayi Serotonin receptor 0.0021 0.1049 0.1049
Brugia malayi RNase H family protein 0.0022 0.1161 0.1161
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Trypanosoma cruzi cytidine deaminase-like protein 0.0118 1 1
Trypanosoma cruzi cytidine deaminase-like protein, putative 0.0118 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Trypanosoma brucei cytidine deaminase 0.0118 1 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0021 0.1049 0.1049
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0022 0.1161 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Brugia malayi Dopamine receptor 0.0021 0.1049 0.1049
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0021 0.1049 0.1049
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0021 0.1049 1
Brugia malayi hypothetical protein 0.0021 0.1049 0.1049
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Giardia lamblia Cytidine deaminase 0.0118 1 1
Brugia malayi AKH receptor 0.0021 0.1049 0.1049
Leishmania major ribonuclease H1, putative 0.0022 0.1161 0.1161
Brugia malayi hypothetical protein 0.0021 0.1049 0.1049
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0021 0.1049 1
Mycobacterium ulcerans cytidine deaminase 0.0118 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Brugia malayi RE15519p 0.0021 0.1049 0.1049
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Echinococcus multilocularis ribonuclease H1 0.0022 0.1161 0.0125
Loa Loa (eye worm) neuropeptide F receptor 0.0021 0.1049 1
Loa Loa (eye worm) neuropeptide F receptor 0.0021 0.1049 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Onchocerca volvulus 0.0118 1 1
Brugia malayi G protein-coupled receptor F59B2.13 0.0021 0.1049 0.1049
Schistosoma mansoni hypothetical protein 0.0081 0.6644 1
Trypanosoma cruzi ribonuclease H1, putative 0.0022 0.1161 0.1161
Brugia malayi RNase H family protein 0.0022 0.1161 0.1161
Brugia malayi follicle stimulating hormone receptor 0.0021 0.1049 0.1049
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Entamoeba histolytica cytidine deaminase, putative 0.0118 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Brugia malayi hypothetical protein 0.0021 0.1049 0.1049
Onchocerca volvulus Ribonuclease H1 homolog 0.0022 0.1161 0.0125
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0021 0.1049 0.1049
Mycobacterium leprae PROBABLE CYTIDINE DEAMINASE CDD (CYTIDINE AMINOHYDROLASE) (CYTIDINE NUCLEOSIDE DEAMINASE) 0.0118 1 0.5
Brugia malayi sulfakinin receptor protein 0.0021 0.1049 0.1049
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Brugia malayi hypothetical protein 0.0021 0.1049 0.1049
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Echinococcus multilocularis cytidine deaminase 0.0118 1 1
Trypanosoma brucei unspecified product 0.0024 0.133 0.133
Trypanosoma brucei RNA helicase, putative 0.0081 0.6644 0.6644
Treponema pallidum ribonuclease H (rnhA) 0.0022 0.1161 0.5
Brugia malayi hypothetical protein 0.0021 0.1049 0.1049
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0021 0.1049 0.1049
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0021 0.1049 0.1049
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Loa Loa (eye worm) G-protein coupled receptor 0.0021 0.1049 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Brugia malayi G-protein coupled receptor 0.0021 0.1049 0.1049
Mycobacterium tuberculosis Probable cytidine deaminase Cdd (cytidine aminohydrolase) (cytidine nucleoside deaminase) 0.0118 1 0.5
Brugia malayi G-protein coupled receptor 0.0021 0.1049 0.1049
Leishmania major cytidine deaminase-like protein 0.0118 1 1
Trypanosoma brucei ribonuclease H1 0.0022 0.1161 0.1161
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Brugia malayi GnHR receptor homolog 0.0021 0.1049 0.1049
Trypanosoma brucei hypothetical protein, conserved 0.0024 0.133 0.133
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Brugia malayi Dopamine receptor protein 1 0.0021 0.1049 0.1049
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0021 0.1049 1
Brugia malayi hypothetical protein 0.0021 0.1049 0.1049
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Brugia malayi hypothetical protein 0.0021 0.1049 0.1049
Echinococcus granulosus ribonuclease H1 0.0022 0.1161 0.0125
Loa Loa (eye worm) G-protein coupled receptor 0.0021 0.1049 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Brugia malayi putative neuropeptide receptor 0.0021 0.1049 0.1049
Brugia malayi G protein-coupled receptor 0.0021 0.1049 0.1049
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0021 0.1049 0.1049
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1049 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.991 Cytotoxicity against Homo sapiens (human) MCF7 cells ChEMBL. No reference
IC50 (functional) = -4.48 Antiproliferative activity evaluated against MCF-7 cell line ChEMBL. 14741278
Log IC50 (functional) = 4.48 Antiproliferative activity evaluated against MCF-7 cell line ChEMBL. 14741278

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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