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

Hover on a compound node to display the structore

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
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0339 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0339 1 1
Trypanosoma brucei multidrug resistance protein E 0.0022 0.0263 0.0263
Leishmania major p-glycoprotein 0.0038 0.0753 0.0753
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0038 0.0753 0.0753
Entamoeba histolytica P-glycoprotein-1 0.0038 0.0753 0.0753
Echinococcus multilocularis aldo keto reductase 0.0339 1 1
Trichomonas vaginalis ABC transporter, putative 0.0038 0.0753 0.0753
Echinococcus multilocularis voltage gated potassium channel subunit 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 0.0098 0.2597 0.2597
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0339 1 1
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
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0098 0.2597 0.2597
Loa Loa (eye worm) hypothetical protein 0.0038 0.0738 0.0738
Loa Loa (eye worm) hypothetical protein 0.0038 0.0753 0.0753
Trichomonas vaginalis abcb9, putative 0.0038 0.0753 0.0753
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0022 0.0263 0.0263
Brugia malayi ABC transporter family protein 0.0038 0.0753 0.0753
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0098 0.2597 1
Echinococcus multilocularis multidrug resistance protein 1 0.0025 0.0345 0.0345
Trichomonas vaginalis taga, putative 0.0038 0.0753 0.0753
Mycobacterium tuberculosis Probable oxidoreductase 0.0339 1 1
Plasmodium vivax multidrug resistance protein 1, putative 0.0038 0.0753 0.2899
Trypanosoma brucei aldo-keto reductase, putative 0.0339 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0339 1 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0339 1 1
Onchocerca volvulus 0.0339 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0038 0.0753 0.0753
Brugia malayi oxidoreductase, aldo/keto reductase family protein 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
Toxoplasma gondii aldose reductase, putative 0.0339 1 1
Echinococcus granulosus 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
Loa Loa (eye worm) oxidoreductase 0.0339 1 1
Echinococcus granulosus aldehyde reductase 0.0241 0.6981 0.6981
Onchocerca volvulus 0.0339 1 1
Brugia malayi NADH-dependent xylose reductase 0.0098 0.2597 0.2597
Trichomonas vaginalis aldo/keto reductase, putative 0.0339 1 1
Onchocerca volvulus 0.0339 1 1
Brugia malayi ABC transporter transmembrane region family protein 0.0022 0.0263 0.0263
Echinococcus multilocularis multidrug resistance protein 1 0.0038 0.0753 0.0753
Schistosoma mansoni multidrug resistance protein 0.0022 0.0263 0.0263
Leishmania major ABC-thiol transporter 0.0022 0.0263 0.0263
Echinococcus multilocularis multidrug resistance protein 1 0.0038 0.0753 0.0753
Echinococcus granulosus multidrug resistance associated protein 1 0.0022 0.0263 0.0263
Entamoeba histolytica alcohol dehydrogenase, putative 0.0098 0.2597 0.2597
Trypanosoma cruzi multidrug resistance protein E, putative 0.0022 0.0263 0.0263
Entamoeba histolytica aldose reductase, putative 0.0339 1 1
Mycobacterium leprae Conserved hypothetical protein 0.0241 0.6981 0.6981
Echinococcus multilocularis aldehyde reductase 0.0241 0.6981 0.6981
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0339 1 1
Onchocerca volvulus 0.0098 0.2597 0.1994
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0038 0.0753 0.0753
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0038 0.0753 0.0753
Schistosoma mansoni multidrug resistance protein 0.0022 0.0263 0.0263
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0038 0.0753 0.0753
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0014 0 0.5
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0038 0.0753 0.0753
Loa Loa (eye worm) oxidoreductase 0.0339 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0038 0.0753 0.0753
Trypanosoma cruzi aldo/keto reductase, putative 0.0339 1 1
Schistosoma mansoni multidrug resistance protein 0.0038 0.0753 0.0753
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0038 0.0753 0.0753
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0038 0.0753 0.0753
Trichomonas vaginalis aldo-keto reductase, putative 0.0098 0.2597 0.2597
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0098 0.2597 0.2597
Schistosoma mansoni potassium channel beta 0.0098 0.2597 0.2597
Echinococcus granulosus aldo keto reductase 0.0339 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0339 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0339 1 1
Leishmania major aldo-keto reductase-like protein 0.0339 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0038 0.0753 0.0753
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0339 1 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0022 0.0263 0.0263
Mycobacterium ulcerans hypothetical protein 0.0098 0.2597 0.2597
Echinococcus multilocularis aldo keto reductase 0.0339 1 1
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0098 0.2597 0.2597
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0022 0.0263 0.0263
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0098 0.2597 0.2597
Echinococcus multilocularis 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
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0038 0.0753 0.0753
Giardia lamblia Aldose reductase 0.0339 1 1
Trichomonas vaginalis ABC transporter, putative 0.0038 0.0753 0.0753
Entamoeba histolytica P-glycoprotein-2 0.0038 0.0753 0.0753
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
Trichomonas vaginalis aldo-keto reductase, putative 0.0339 1 1
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0014 0 0.5
Trypanosoma brucei aldo/keto reductase, putative 0.0098 0.2597 0.2597
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0038 0.0753 0.0753
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0038 0.0753 0.0753
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0022 0.0263 0.0263
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0022 0.0263 0.0263
Trichomonas vaginalis aldo-keto reductase, putative 0.0098 0.2597 0.2597
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0339 1 1
Echinococcus granulosus multidrug resistance associated protein 7 0.0022 0.0263 0.0263
Onchocerca volvulus 0.0339 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0038 0.0753 0.0753
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0022 0.0263 0.0263
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0038 0.0753 0.0753
Loa Loa (eye worm) hypothetical protein 0.0022 0.0263 0.0263
Giardia lamblia MRP-like ABC transporter 0.0022 0.0263 0.0015
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0339 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0339 1 1
Echinococcus multilocularis aldo keto reductase 0.0339 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0038 0.0753 0.0753
Loa Loa (eye worm) oxidoreductase 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 1, putative 0.0022 0.0263 0.0263
Trichomonas vaginalis aldo-keto reductase, putative 0.0339 1 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0038 0.0753 0.0753
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0339 1 1
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0098 0.2597 0.2597
Entamoeba histolytica hypothetical protein 0.0022 0.0263 0.0263
Schistosoma mansoni aldo-keto reductase 0.0339 1 1
Trypanosoma cruzi aldo-keto reductase 0.0339 1 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0022 0.0263 0.0263
Trypanosoma brucei p-glycoprotein 0.0022 0.0263 0.0263
Echinococcus granulosus hypothetical protein 0.0339 1 1
Toxoplasma gondii aldo-keto reductase 0.0098 0.2597 0.2597
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0098 0.2597 0.2597
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0022 0.0263 0.0263
Plasmodium falciparum aldehyde reductase, putative 0.0098 0.2597 1
Echinococcus granulosus aldo keto reductase 0.0339 1 1
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
Brugia malayi multidrug resistance related protein 1 0.0022 0.0263 0.0263
Schistosoma mansoni multidrug resistance protein 0.0038 0.0753 0.0753
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0038 0.0738 0.0738
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0339 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0339 1 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0098 0.2597 0.2597
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
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0038 0.0753 0.0753
Trichomonas vaginalis aldo-keto reductase, putative 0.0339 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0339 1 1
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0038 0.0753 0.0753
Giardia lamblia Multidrug resistance-associated protein 1 0.0022 0.0263 0.0015
Trichomonas vaginalis abcb9, 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
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0038 0.0753 0.0753
Trichomonas vaginalis ABC transporter, putative 0.0038 0.0753 0.0753
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0339 1 1
Echinococcus multilocularis multidrug resistance associated protein 7 0.0022 0.0263 0.0263
Echinococcus granulosus multidrug resistance protein 1 0.0025 0.0345 0.0345
Entamoeba histolytica aldose reductase, putative 0.0339 1 1
Entamoeba histolytica multidrug resistance protein, putative 0.0022 0.0263 0.0263
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0339 1 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0022 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0339 1 1
Schistosoma mansoni multidrug resistance protein 0.0022 0.0263 0.0263
Trichomonas vaginalis aldo/keto reductase, putative 0.0339 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0098 0.2597 0.2597
Mycobacterium leprae Possible oxidoreductase 0.0098 0.2597 0.2597
Echinococcus multilocularis ATP binding cassette sub family B 0.0038 0.0738 0.0738
Loa Loa (eye worm) oxidoreductase 0.0339 1 1
Echinococcus multilocularis aldo keto reductase 0.0339 1 1
Echinococcus granulosus multidrug resistance protein 1 0.0038 0.0753 0.0753
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0022 0.0263 0.0263
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0038 0.0753 0.0753
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0038 0.0753 0.0753
Entamoeba histolytica P-glycoprotein-2 0.0038 0.0753 0.0753
Leishmania major pentamidine resistance protein 1 0.0022 0.0263 0.0263
Echinococcus granulosus voltage gated potassium channel subunit 0.0098 0.2597 0.2597
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0038 0.0753 0.0753
Trichomonas vaginalis aldo/keto reductase, putative 0.0339 1 1
Leishmania major p-glycoprotein e 0.0022 0.0263 0.0263
Trichomonas vaginalis aldo-keto reductase, putative 0.0339 1 1
Plasmodium falciparum multidrug resistance protein 1 0.0038 0.0753 0.2899
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0339 1 1
Entamoeba histolytica P-glycoprotein 5, putative 0.0038 0.0753 0.0753
Trichomonas vaginalis conserved hypothetical protein 0.0098 0.2597 0.2597
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0339 1 1
Plasmodium falciparum aldo-keto reductase, putative 0.0098 0.2597 1
Loa Loa (eye worm) oxidoreductase 0.0339 1 1
Schistosoma mansoni pol-related 0.0339 1 1
Trypanosoma brucei prostaglandin f synthase 0.0339 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0038 0.0753 0.0753
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0339 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0038 0.0753 0.0753
Entamoeba histolytica ATP-binding cassette protein, putative 0.0022 0.0263 0.0263
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0022 0.0263 0.0263
Entamoeba histolytica P-glyco protein 6, putative 0.0038 0.0753 0.0753
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0025 0.0345 0.0345
Entamoeba histolytica ABC transporter, putative 0.0022 0.0263 0.0263
Entamoeba histolytica aldose reductase, putative 0.0339 1 1
Schistosoma mansoni multidrug resistance protein 0.0022 0.0263 0.0263
Echinococcus granulosus multidrug resistance protein 1 0.0038 0.0753 0.0753
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0038 0.0753 0.0753
Giardia lamblia Aldose reductase 0.0339 1 1
Plasmodium vivax aldehyde reductase, putative 0.0098 0.2597 1
Echinococcus granulosus multidrug resistance protein 1 0.0038 0.0753 0.0753
Mycobacterium ulcerans oxidoreductase 0.0339 1 1
Mycobacterium tuberculosis Conserved protein 0.0098 0.2597 0.2597
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0038 0.0753 0.0753
Brugia malayi multidrug resistance protein 3 0.0038 0.0753 0.0753
Loa Loa (eye worm) hypothetical protein 0.0022 0.0263 0.0263
Schistosoma mansoni smdr2 0.0038 0.0753 0.0753
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0339 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0038 0.0753 0.0753
Loa Loa (eye worm) hypothetical protein 0.0022 0.0248 0.0248
Trichomonas vaginalis ABC transporter, putative 0.0038 0.0753 0.0753
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0038 0.0753 0.0753
Schistosoma mansoni multidrug resistance protein 0.0038 0.0753 0.0753
Schistosoma mansoni aldo-keto reductase 0.0339 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0339 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0339 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0339 1 1
Loa Loa (eye worm) multidrug resistance protein 3 0.0038 0.0753 0.0753
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0339 1 1
Echinococcus granulosus aldo keto reductase 0.0339 1 1
Onchocerca volvulus 0.0339 1 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0339 1 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0022 0.0263 0.0263
Entamoeba histolytica P-glycoprotein-5 0.0038 0.0753 0.0753
Trichomonas vaginalis aldo-keto reductase, putative 0.0098 0.2597 0.2597
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0038 0.0753 0.0753
Entamoeba histolytica P-glycoprotein-2, putative 0.0038 0.0753 0.0753
Trichomonas vaginalis abcb9, putative 0.0038 0.0753 0.0753
Leishmania major prostaglandin f synthase, putative 0.0339 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0339 1 1
Giardia lamblia ABC transporter, putative 0.0022 0.0263 0.0015
Echinococcus granulosus multidrug resistance protein 1 0.0025 0.0345 0.0345

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.