Detailed information for compound 1726728

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 423.467 | Formula: C25H21N5O2
  • H donors: 2 H acceptors: 4 LogP: 3.79 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)CNC(=O)C(c1nc2ccccc2nc1Nc1ccccc1)C#N
  • InChi: 1S/C25H21N5O2/c1-32-19-11-7-8-17(14-19)16-27-25(31)20(15-26)23-24(28-18-9-3-2-4-10-18)30-22-13-6-5-12-21(22)29-23/h2-14,20H,16H2,1H3,(H,27,31)(H,28,30)
  • InChiKey: YSLUEBGGQLLQIQ-UHFFFAOYSA-N  


Substructure search Similarity search

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
Loa Loa (eye worm) orotate phosphoribosyltransferase 0.0062 0.0869 0.1239
Loa Loa (eye worm) hypothetical protein 0.0012 0.0059 0.0085
Trichomonas vaginalis conserved hypothetical protein 0.005 0.0668 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0067 0.0095
Loa Loa (eye worm) hypothetical protein 0.0013 0.0067 0.0096
Schistosoma mansoni intermediate filament proteins 0.0026 0.0288 0.0409
Schistosoma mansoni blooms syndrome DNA helicase 0.0016 0.0128 0.0181
Schistosoma mansoni orotidine 5'-phosphate decarboxylase 0.0062 0.0869 0.1238
Trypanosoma brucei cytochrome P450, putative 0.0012 0.0056 0.0027
Echinococcus granulosus thymidylate synthase 0.0104 0.1557 0.2219
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0338 0.536 1
Brugia malayi Cytochrome P450 family protein 0.0012 0.0056 0.0079
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0338 0.536 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0001 0.0000000001183
Echinococcus granulosus lamin 0.0026 0.0288 0.0409
Echinococcus multilocularis uridine 5' monophosphate synthase 0.0062 0.0869 0.1238
Loa Loa (eye worm) CYP4Cod1 0.0012 0.0056 0.008
Echinococcus multilocularis dihydrofolate reductase 0.0439 0.7016 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0338 0.536 1
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.0199 0.2507
Trichomonas vaginalis DNA helicase recq1, putative 0.0021 0.0199 0.2507
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.0199 0.0282
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0062 0.0869 0.1556
Echinococcus granulosus intermediate filament protein 0.0026 0.0288 0.0409
Loa Loa (eye worm) RecQ helicase 0.0021 0.0199 0.0283
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0439 0.7016 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0131 0.0186
Onchocerca volvulus 0.0104 0.1557 0.1459
Loa Loa (eye worm) hypothetical protein 0.0026 0.0288 0.041
Brugia malayi follicle stimulating hormone receptor 0.0227 0.356 0.5073
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0288 0.041
Echinococcus granulosus lamin dm0 0.0026 0.0288 0.0409
Onchocerca volvulus 0.0561 0.8992 1
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0062 0.0869 0.1556
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0018 0.0158 0.0293
Echinococcus multilocularis lamin dm0 0.0026 0.0288 0.0409
Brugia malayi Cytochrome P450 family protein 0.0012 0.0056 0.0079
Leishmania major orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative,OMPDCase-OPRTase, putative 0.0062 0.0869 0.1556
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0104 0.1557 0.2219
Trypanosoma brucei orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0062 0.0869 0.1556
Echinococcus multilocularis thymidylate synthase 0.0104 0.1557 0.2219
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0056 0.008
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0104 0.1557 0.1401
Loa Loa (eye worm) thymidylate synthase 0.0104 0.1557 0.222
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0067 0.0095
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0009 0.0001 0.0001
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0062 0.0869 0.1556
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0288 0.041
Loa Loa (eye worm) hypothetical protein 0.0012 0.0059 0.0085
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0104 0.1557 0.1119
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0439 0.7016 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0227 0.356 0.5074
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0056 0.008
Brugia malayi intermediate filament protein 0.0026 0.0288 0.0409
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0338 0.536 1
Echinococcus granulosus dihydrofolate reductase 0.0439 0.7016 1
Brugia malayi thymidylate synthase 0.0104 0.1557 0.2219
Loa Loa (eye worm) hypothetical protein 0.0026 0.028 0.0399
Trypanosoma cruzi cytochrome P450, putative 0.0012 0.0056 0.0027
Echinococcus granulosus uridine 5' monophosphate synthase 0.0062 0.0869 0.1238
Echinococcus multilocularis musashi 0.0026 0.0288 0.0409
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.009 0.0127
Schistosoma mansoni lamin 0.0026 0.0288 0.0409
Loa Loa (eye worm) dihydrofolate reductase 0.0439 0.7016 1
Brugia malayi Dihydrofolate reductase 0.0439 0.7016 1
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0288 0.0409
Echinococcus multilocularis bloom syndrome protein 0.0021 0.0199 0.0282
Chlamydia trachomatis dihydrofolate reductase 0.0439 0.7016 0.5
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0014 0.0087 0.0161
Schistosoma mansoni dihydrofolate reductase 0.0439 0.7016 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0338 0.536 1
Echinococcus multilocularis lamin 0.0026 0.0288 0.0409
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0338 0.536 1
Plasmodium vivax orotidine 5'-phosphate decarboxylase, putative 0.0062 0.0869 0.1479
Toxoplasma gondii orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase 0.0062 0.0869 0.162
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.005 0.0668 0.1178
Brugia malayi dihydrofolate reductase family protein 0.0439 0.7016 1
Giardia lamblia Sgs1 DNA helicase, putative 0.0009 0.0001 0.5
Entamoeba histolytica recQ family helicase, putative 0.0011 0.0042 0.5
Brugia malayi orotate phosphoribosyltransferase family protein 0.0062 0.0869 0.1238
Echinococcus granulosus bloom syndrome protein 0.0021 0.0199 0.0282
Schistosoma mansoni lamin 0.0026 0.0288 0.0409
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.009 0.0128
Trypanosoma cruzi cytochrome P450, putative 0.0012 0.0056 0.0027
Mycobacterium ulcerans orotidine 5'-phosphate decarboxylase 0.0062 0.0869 0.1169
Mycobacterium ulcerans thymidylate synthase 0.0104 0.1557 0.2157
Loa Loa (eye worm) hypothetical protein 0.0009 0.0001 0.0001
Plasmodium falciparum orotidine 5'-phosphate decarboxylase 0.0062 0.0869 0.162
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0439 0.7016 1
Brugia malayi hypothetical protein 0.005 0.0668 0.0952
Leishmania major cytochrome p450-like protein 0.0012 0.0056 0.0027

Activities

No activities found for this compound.

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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