Detailed information for compound 1596566

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 429.428 | Formula: C23H19N5O4
  • H donors: 2 H acceptors: 3 LogP: 5.31 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(/N=N/c2ccccc2)c(cc1/N=N/c1c(O)nc2c(c1O)cccc2)OC
  • InChi: 1S/C23H19N5O4/c1-31-19-13-18(20(32-2)12-17(19)26-25-14-8-4-3-5-9-14)27-28-21-22(29)15-10-6-7-11-16(15)24-23(21)30/h3-13H,1-2H3,(H2,24,29,30)/b26-25+,28-27+
  • InChiKey: DHQPPOYLOLLOCW-PAMTUDGESA-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) hypothetical protein 0.0021 0.0157 0.038
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0644 0.1556
Loa Loa (eye worm) hypothetical protein 0.0021 0.0157 0.038
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.035 0.4138 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0644 0.0644
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0644 0.1556
Loa Loa (eye worm) hypothetical protein 0.0021 0.0157 0.038
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0029 0.0245 0.3115
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0787 0.0787
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0787 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0644 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.0644 0.0657
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0644 0.0644
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0029 0.0245 0.3115
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0029 0.0245 1
Giardia lamblia Macrophage migration inhibitory factor 0.035 0.4138 1
Brugia malayi Bm-MIF-1, identical 0.035 0.4138 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0021 0.0157 0.2
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0787 0.0803
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0787 0.0787
Loa Loa (eye worm) hypothetical protein 0.0029 0.0245 0.0593
Plasmodium falciparum macrophage migration inhibitory factor 0.035 0.4138 1
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.035 0.4138 0.4222
Loa Loa (eye worm) hypothetical protein 0.0021 0.0157 0.038
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0029 0.0245 0.3115
Trichomonas vaginalis conserved hypothetical protein 0.035 0.4138 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.0157 0.2
Toxoplasma gondii cytochrome p450 superfamily protein 0.0817 0.9801 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0245 0.3115
Plasmodium vivax macrophage migration inhibitory factor, putative 0.035 0.4138 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0787 0.0787
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0245 0.3115
Trypanosoma brucei protein kinase, putative 0.0062 0.0644 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0245 0.0593
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0644 0.0644
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.0644 0.1556
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0644 0.1556
Entamoeba histolytica acyl-CoA synthetase, putative 0.0029 0.0245 0.0593
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0644 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0787 0.1902
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0245 0.3115
Loa Loa (eye worm) macrophage migration inhibitory factor 0.035 0.4138 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0029 0.0245 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0787 0.0787
Plasmodium vivax acyl-CoA synthetase, putative 0.0021 0.0157 0.038
Leishmania major macrophage migration inhibitory factor-like protein 0.035 0.4138 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0245 0.0593
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0143 0.182
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0245 0.0593
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0029 0.0245 0.3115
Leishmania major macrophage migration inhibitory factor-like protein 0.035 0.4138 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0029 0.0245 0.3115
Loa Loa (eye worm) hypothetical protein 0.0029 0.0245 0.0593
Onchocerca volvulus 0.0029 0.0245 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0029 0.0245 0.0593
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0245 0.0593
Entamoeba histolytica acyl-coA synthetase, putative 0.0029 0.0245 0.0593
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0245 0.0593
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.0644 0.1556
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0245 0.3115
Mycobacterium ulcerans hypothetical protein 0.0029 0.0245 0.3115
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0149 0.1707 0.4125
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0157 0.038
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.0644 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0245 0.0593
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0143 0.182
Loa Loa (eye worm) hypothetical protein 0.0029 0.0245 0.0593
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.0644 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0021 0.0157 0.5
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.035 0.4138 1
Brugia malayi MAP kinase sur-1 0.0062 0.0644 0.1556
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0644 0.0644
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0787 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0787 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.0644 1
Plasmodium falciparum acyl-CoA synthetase 0.0021 0.0157 0.038
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0143 0.182
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0787 1
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0644 0.0644
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0644 0.1556
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0143 0.182
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0644 0.1556
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0149 0.1707 0.4125

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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