Detailed information for compound 1801501

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 473.481 | Formula: C25H23N5O5
  • H donors: 1 H acceptors: 6 LogP: 2.64 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1c(O)n(C)c(=O)n(c1=O)C)/C=C/c1ccc(cc1)OCc1nnn(c1)Cc1ccccc1
  • InChi: 1S/C25H23N5O5/c1-28-23(32)22(24(33)29(2)25(28)34)21(31)13-10-17-8-11-20(12-9-17)35-16-19-15-30(27-26-19)14-18-6-4-3-5-7-18/h3-13,15,32H,14,16H2,1-2H3/b13-10+
  • InChiKey: YZHSUCHELWVVRF-JLHYYAGUSA-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
Onchocerca volvulus 0.0339 1 1
Toxoplasma gondii aldo-keto reductase 0.0098 0.2597 0.2597
Brugia malayi multidrug resistance related protein 1 0.0022 0.0263 0.0263
Echinococcus multilocularis aldehyde reductase 0.0241 0.6981 0.6981
Trichomonas vaginalis conserved hypothetical protein 0.0098 0.2597 0.2597
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0038 0.0753 0.0753
Loa Loa (eye worm) oxidoreductase 0.0339 1 1
Onchocerca volvulus 0.0098 0.2597 0.1994
Mycobacterium ulcerans oxidoreductase 0.0339 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0753 0.0753
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0022 0.0263 0.0263
Echinococcus multilocularis multidrug resistance associated protein 1 0.0022 0.0263 0.0263
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0339 1 1
Brugia malayi ABC transporter family protein 0.0038 0.0753 0.0753
Brugia malayi multidrug resistance protein 3 0.0038 0.0753 0.0753
Entamoeba histolytica multidrug resistance protein, putative 0.0022 0.0263 0.0263
Onchocerca volvulus 0.0339 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0038 0.0753 0.0753
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0339 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0339 1 1
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0038 0.0753 0.5
Leishmania major prostaglandin f synthase, putative 0.0339 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0339 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0038 0.0753 0.0753
Echinococcus granulosus aldo keto reductase 0.0339 1 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0038 0.0753 0.0753
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0339 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0339 1 1
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0022 0.0263 0.0263
Trichomonas vaginalis abcb9, putative 0.0038 0.0753 0.0753
Schistosoma mansoni aldo-keto reductase 0.0339 1 1
Echinococcus granulosus aldo keto reductase 0.0339 1 1
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0098 0.2597 0.2597
Trichomonas vaginalis ABC transporter, putative 0.0038 0.0753 0.0753
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0038 0.0753 0.0753
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0038 0.0753 0.0753
Schistosoma mansoni aldo-keto reductase 0.0339 1 1
Entamoeba histolytica aldose reductase, putative 0.0339 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0098 0.2597 0.2597
Trichomonas vaginalis aldo-keto reductase, putative 0.0339 1 1
Toxoplasma gondii aldose reductase, putative 0.0339 1 1
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0022 0.0263 0.0263
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0038 0.0753 0.0753
Loa Loa (eye worm) oxidoreductase 0.0339 1 1
Trypanosoma brucei p-glycoprotein 0.0022 0.0263 0.0263
Schistosoma mansoni potassium channel beta 0.0098 0.2597 0.2597
Entamoeba histolytica P-glycoprotein-2 0.0038 0.0753 0.0753
Entamoeba histolytica ATP-binding cassette protein, putative 0.0022 0.0263 0.0263
Trichomonas vaginalis aldo/keto reductase, putative 0.0339 1 1
Echinococcus granulosus voltage gated potassium channel subunit 0.0098 0.2597 0.2597
Giardia lamblia Aldose reductase 0.0339 1 1
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0014 0 0.5
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0038 0.0753 0.0753
Trypanosoma cruzi aldo/keto reductase, putative 0.0339 1 1
Giardia lamblia Aldose reductase 0.0339 1 1
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0038 0.0753 0.0753
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0038 0.0753 0.0753
Echinococcus granulosus hypothetical protein 0.0339 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0339 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0038 0.0753 0.0753
Entamoeba histolytica hypothetical protein 0.0022 0.0263 0.0263
Echinococcus granulosus multidrug resistance protein 1 0.0025 0.0345 0.0345
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0038 0.0753 0.0753
Echinococcus granulosus multidrug resistance protein 1 0.0038 0.0753 0.0753
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0339 1 1
Mycobacterium ulcerans hypothetical protein 0.0098 0.2597 0.2597
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0339 1 1
Echinococcus granulosus aldehyde reductase 0.0241 0.6981 0.6981
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0339 1 1
Schistosoma mansoni multidrug resistance protein 0.0038 0.0753 0.0753
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0038 0.0753 0.0753
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0339 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0753 0.0753
Echinococcus granulosus multidrug resistance protein 1 0.0038 0.0753 0.0753
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0339 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0038 0.0753 0.0753
Brugia malayi NADH-dependent xylose reductase 0.0098 0.2597 0.2597
Trichomonas vaginalis ABC transporter, putative 0.0038 0.0753 0.0753
Trichomonas vaginalis aldo-keto reductase, putative 0.0339 1 1
Schistosoma mansoni pol-related 0.0339 1 1
Loa Loa (eye worm) hypothetical protein 0.0339 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0339 1 1
Echinococcus granulosus aldo keto reductase 0.0339 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0339 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0038 0.0753 0.0753
Echinococcus granulosus multidrug resistance associated protein 7 0.0022 0.0263 0.0263
Echinococcus multilocularis aldo keto reductase 0.0339 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0339 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0339 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0038 0.0753 0.0753
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0022 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0022 0.0248 0.0248
Entamoeba histolytica P-glycoprotein-2, putative 0.0038 0.0753 0.0753
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0038 0.0753 0.0753
Loa Loa (eye worm) hypothetical protein 0.0022 0.0263 0.0263
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0038 0.0753 0.0753
Trichomonas vaginalis aldo-keto reductase, putative 0.0339 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0098 0.2597 0.2597
Leishmania major p-glycoprotein e 0.0022 0.0263 0.0263
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0038 0.0753 0.0753
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0025 0.0345 0.0345
Trypanosoma brucei aldo-keto reductase, putative 0.0339 1 1
Entamoeba histolytica aldose reductase, putative 0.0339 1 1
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0098 0.2597 0.2597
Giardia lamblia ABC transporter, putative 0.0022 0.0263 0.0015
Trypanosoma cruzi aldo-keto reductase 0.0339 1 1
Leishmania major ABC-thiol transporter 0.0022 0.0263 0.0263
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0339 1 1
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0022 0.0263 0.0263
Giardia lamblia MRP-like ABC transporter 0.0022 0.0263 0.0015
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0038 0.0753 0.0753
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0038 0.0753 0.0753
Schistosoma mansoni multidrug resistance protein 0.0038 0.0753 0.0753
Trichomonas vaginalis aldo-keto reductase, putative 0.0339 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0038 0.0753 0.0753
Trichomonas vaginalis ABC transporter, putative 0.0038 0.0753 0.0753
Mycobacterium tuberculosis Probable oxidoreductase 0.0339 1 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0022 0.0263 0.0263
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0098 0.2597 1
Plasmodium falciparum aldehyde reductase, putative 0.0098 0.2597 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0339 1 1
Schistosoma mansoni smdr2 0.0038 0.0753 0.0753
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0339 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0038 0.0753 0.0753
Echinococcus granulosus multidrug resistance protein 1 0.0025 0.0345 0.0345
Schistosoma mansoni multidrug resistance protein 0.0038 0.0753 0.0753
Echinococcus multilocularis aldo keto reductase 0.0339 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0339 1 1
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0098 0.2597 0.2597
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0038 0.0753 0.0753
Plasmodium falciparum multidrug resistance protein 1 0.0038 0.0753 0.2899
Mycobacterium leprae Possible oxidoreductase 0.0098 0.2597 0.2597
Trichomonas vaginalis aldo-keto reductase, putative 0.0339 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0339 1 1
Loa Loa (eye worm) multidrug resistance protein 3 0.0038 0.0753 0.0753
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0038 0.0753 0.0753
Leishmania major pentamidine resistance protein 1 0.0022 0.0263 0.0263
Trichomonas vaginalis aldo-keto reductase, putative 0.0098 0.2597 0.2597
Echinococcus multilocularis aldo keto reductase 0.0339 1 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0022 0.0263 0.0263
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0038 0.0753 0.0753
Entamoeba histolytica aldose reductase, putative 0.0339 1 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0022 0.0263 0.0263
Entamoeba histolytica alcohol dehydrogenase, putative 0.0098 0.2597 0.2597
Echinococcus multilocularis multidrug resistance protein 1 0.0025 0.0345 0.0345
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0038 0.0753 0.0753
Trichomonas vaginalis aldo/keto reductase, putative 0.0339 1 1
Onchocerca volvulus 0.0339 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0738 0.0738
Trypanosoma brucei multidrug resistance protein E 0.0022 0.0263 0.0263
Echinococcus granulosus multidrug resistance protein 1 0.0038 0.0753 0.0753
Loa Loa (eye worm) oxidoreductase 0.0339 1 1
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0014 0 0.5
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0038 0.0738 0.0738
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0022 0.0263 0.0263
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0339 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0339 1 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0038 0.0738 0.0738
Entamoeba histolytica ABC transporter, putative 0.0022 0.0263 0.0263
Plasmodium vivax multidrug resistance protein 1, putative 0.0038 0.0753 0.2899
Trichomonas vaginalis abcb9, putative 0.0038 0.0753 0.0753
Trichomonas vaginalis aldo-keto reductase, putative 0.0339 1 1
Trypanosoma cruzi multidrug resistance protein E, putative 0.0022 0.0263 0.0263
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0339 1 1
Trichomonas vaginalis ABC transporter, putative 0.0038 0.0753 0.0753
Trichomonas vaginalis abcb9, putative 0.0038 0.0753 0.0753
Entamoeba histolytica P-glycoprotein-5 0.0038 0.0753 0.0753
Mycobacterium leprae Conserved hypothetical protein 0.0241 0.6981 0.6981
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0339 1 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0098 0.2597 0.2597
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0339 1 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0022 0.0263 0.0015
Echinococcus multilocularis multidrug resistance protein 1 0.0038 0.0753 0.0753
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0038 0.0753 0.0753
Echinococcus multilocularis aldo keto reductase 0.0339 1 1
Trypanosoma brucei prostaglandin f synthase 0.0339 1 1
Leishmania major aldo-keto reductase-like protein 0.0339 1 1
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0098 0.2597 0.2597
Trypanosoma cruzi aldo/keto reductase, putative 0.0098 0.2597 0.2597
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0022 0.0263 0.0263
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0022 0.0263 0.0263
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0339 1 1
Loa Loa (eye worm) oxidoreductase 0.0339 1 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0339 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0339 1 1
Brugia malayi ABC transporter transmembrane region family protein 0.0022 0.0263 0.0263
Echinococcus granulosus multidrug resistance associated protein 1 0.0022 0.0263 0.0263
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0038 0.0753 0.0753
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0038 0.0753 0.0753
Plasmodium vivax aldehyde reductase, putative 0.0098 0.2597 1
Schistosoma mansoni multidrug resistance protein 0.0022 0.0263 0.0263
Trichomonas vaginalis taga, putative 0.0038 0.0753 0.0753
Leishmania major p-glycoprotein 0.0038 0.0753 0.0753
Onchocerca volvulus 0.0339 1 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0022 0.0263 0.0015
Trichomonas vaginalis aldo-keto reductase, putative 0.0339 1 1
Onchocerca volvulus 0.0339 1 1
Loa Loa (eye worm) oxidoreductase 0.0339 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0339 1 1
Mycobacterium tuberculosis Conserved protein 0.0098 0.2597 0.2597
Echinococcus multilocularis multidrug resistance protein 1 0.0038 0.0753 0.0753
Entamoeba histolytica P-glycoprotein-2 0.0038 0.0753 0.0753
Echinococcus multilocularis voltage gated potassium channel subunit 0.0098 0.2597 0.2597
Trypanosoma brucei aldo/keto reductase, putative 0.0098 0.2597 0.2597
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0098 0.2597 0.2597
Trichomonas vaginalis aldo-keto reductase, putative 0.0339 1 1
Schistosoma mansoni multidrug resistance protein 0.0022 0.0263 0.0263
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0038 0.0753 0.0753
Entamoeba histolytica alcohol dehydrogenase, putative 0.0098 0.2597 0.2597
Schistosoma mansoni multidrug resistance protein 0.0022 0.0263 0.0263
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0098 0.2597 0.2597
Trichomonas vaginalis aldo-keto reductase, putative 0.0339 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0339 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0339 1 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0022 0.0263 0.0263
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0038 0.0753 0.0753
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0022 0.0263 0.0263
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0038 0.0753 0.0753
Entamoeba histolytica P-glycoprotein 5, putative 0.0038 0.0753 0.0753
Entamoeba histolytica P-glycoprotein-1 0.0038 0.0753 0.0753
Schistosoma mansoni multidrug resistance protein 0.0022 0.0263 0.0263
Echinococcus multilocularis multidrug resistance associated protein 7 0.0022 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0022 0.0263 0.0263
Entamoeba histolytica P-glyco protein 6, putative 0.0038 0.0753 0.0753
Trichomonas vaginalis aldo-keto reductase, putative 0.0339 1 1
Plasmodium falciparum aldo-keto reductase, putative 0.0098 0.2597 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0038 0.0753 0.0753
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0038 0.0753 0.0753
Onchocerca volvulus 0.0339 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0038 0.0753 0.0753

Activities

Activity type Activity value Assay description Source Reference
IZ (functional) = 0 mm Antibacterial activity against Escherichia coli DH5[alpha] at 5 mg/ml after 24 hrs by Kirby-Bauer single disc susceptibility test ChEMBL. No reference
IZ (functional) = 0 mm Antibacterial activity against Escherichia coli DH5[alpha] at 2.5 mg/ml after 24 hrs by Kirby-Bauer single disc susceptibility test 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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