Detailed information for compound 1157488

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 284.313 | Formula: C15H16N4O2
  • H donors: 3 H acceptors: 2 LogP: 1.03 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC(=O)CNCc1c[nH]nc1c1cc2c(o1)cccc2
  • InChi: 1S/C15H16N4O2/c1-16-14(20)9-17-7-11-8-18-19-15(11)13-6-10-4-2-3-5-12(10)21-13/h2-6,8,17H,7,9H2,1H3,(H,16,20)(H,18,19)
  • InChiKey: WRJWHLQAAPQEIO-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
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0004 0 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.2729 0.2811
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0004 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0004 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0004 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0442 0.0442
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.3437 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0053 0.3437 1
Echinococcus multilocularis mitogen activated protein kinase 0.0053 0.3437 0.3437
Schistosoma mansoni tar DNA-binding protein 0.0142 0.9702 0.9702
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.2729 0.7942
Brugia malayi RNA recognition motif domain containing protein 0.0142 0.9702 0.9702
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0053 0.3437 1
Schistosoma mansoni tar DNA-binding protein 0.0142 0.9702 0.9702
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.2324 0.2324
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0004 0 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0015 0.0741 1
Trypanosoma cruzi cytochrome P450, putative 0.0015 0.0741 0.2156
Echinococcus multilocularis mitogen activated protein kinase 3 0.0053 0.3437 0.3437
Echinococcus granulosus mitogen activated protein kinase 3 0.0053 0.3437 0.3539
Loa Loa (eye worm) hypothetical protein 0.0127 0.8634 0.8634
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0004 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0004 0 0.5
Trypanosoma brucei cytochrome P450, putative 0.0015 0.0741 0.2156
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0004 0 0.5
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.2477 0.5
Echinococcus granulosus mitogen activated protein kinase 0.0053 0.3437 0.3539
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0053 0.3437 1
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0004 0 0.5
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0146 1 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0053 0.3437 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0741 0.0741
Loa Loa (eye worm) hypothetical protein 0.0127 0.8634 0.8634
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.2324 0.2324
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.3437 1
Loa Loa (eye worm) CYP4Cod1 0.0015 0.0741 0.0741
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0053 0.3437 1
Schistosoma mansoni tar DNA-binding protein 0.0142 0.9702 0.9702
Giardia lamblia Kinase, CMGC MAPK 0.0053 0.3437 1
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0004 0 0.5
Brugia malayi RNA binding protein 0.0142 0.9702 0.9702
Brugia malayi hypothetical protein 0.0127 0.8634 0.8634
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0741 0.0741
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0146 1 1
Loa Loa (eye worm) RNA binding protein 0.0142 0.9702 0.9702
Brugia malayi hypothetical protein 0.0037 0.2324 0.2324
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.2324 0.2393
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.2477 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0004 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0004 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0142 0.9702 0.9702
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0004 0 0.5
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.2729 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0142 0.9702 0.9702
Echinococcus granulosus histone acetyltransferase KAT2B 0.0142 0.9711 1
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.3437 0.3437
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0004 0 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.3437 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0053 0.3437 0.3437
Echinococcus granulosus tar DNA binding protein 0.0142 0.9702 0.9991
Onchocerca volvulus Huntingtin homolog 0.0127 0.8634 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.3437 1
Schistosoma mansoni tar DNA-binding protein 0.0142 0.9702 0.9702
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.3437 1
Mycobacterium leprae Conserved hypothetical protein 0.0004 0 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.3437 1
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0004 0 0.5
Mycobacterium leprae putative cytochrome p450 0.0004 0 0.5
Brugia malayi Cytochrome P450 family protein 0.0015 0.0741 0.0741
Trypanosoma cruzi cytochrome P450, putative 0.0015 0.0741 0.2156
Schistosoma mansoni hypothetical protein 0.0037 0.2324 0.2324
Trypanosoma brucei protein kinase, putative 0.0053 0.3437 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.2729 0.7942
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0053 0.3437 1
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0004 0 0.5
Onchocerca volvulus Huntingtin homolog 0.0127 0.8634 0.5
Loa Loa (eye worm) TAR-binding protein 0.0142 0.9702 0.9702
Echinococcus multilocularis tar DNA binding protein 0.0142 0.9702 0.9702
Leishmania major cytochrome p450-like protein 0.0015 0.0741 0.2156
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0004 0 0.5
Brugia malayi Cytochrome P450 family protein 0.0015 0.0741 0.0741
Brugia malayi MAP kinase sur-1 0.0053 0.3437 0.3437
Loa Loa (eye worm) acetyltransferase 0.0146 1 1
Brugia malayi TAR-binding protein 0.0142 0.9702 0.9702
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0004 0 0.5
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0004 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0004 0 0.5

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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