Detailed information for compound 665774

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 313.348 | Formula: C18H19NO4
  • H donors: 1 H acceptors: 1 LogP: 3 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)C(=CC=Nc1ccccc1OC)O
  • InChi: 1S/C18H19NO4/c1-21-16-7-5-4-6-14(16)19-11-10-15(20)13-8-9-17(22-2)18(12-13)23-3/h4-12,20H,1-3H3
  • InChiKey: CIHZBBRCGKADCC-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) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.1038 0.1453
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.1327 0.1327
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0048 0.1022 0.1022
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.1327 0.1327
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0282 0.6886 0.6886
Loa Loa (eye worm) norepinephrine transporter 0.0282 0.6886 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0086 0.197 0.8837
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.1038 0.1038
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0.0149 0.5
Brugia malayi hypothetical protein 0.0036 0.0718 0.0989
Loa Loa (eye worm) hypothetical protein 0.0048 0.1022 0.1429
Toxoplasma gondii hypothetical protein 0.0048 0.1022 0.8494
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0048 0.1022 0.1429
Echinococcus multilocularis phd:f box containing protein 0.0016 0.0213 0.0213
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0048 0.1022 0.1022
Loa Loa (eye worm) hypothetical protein 0.0048 0.1022 0.1429
Entamoeba histolytica hypothetical protein 0.0036 0.0718 0.5
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.1176 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.1022 0.1429
Echinococcus multilocularis serotonin transporter 0.0282 0.6886 0.6886
Loa Loa (eye worm) hypothetical protein 0.0016 0.0213 0.0247
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0048 0.1022 0.1022
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.1327 0.1875
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0048 0.1022 0.1022
Echinococcus multilocularis sodium and chloride dependent glycine 0.0048 0.1022 0.1022
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0048 0.1022 0.8494
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0048 0.1022 0.1433
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0086 0.197 0.8837
Trichomonas vaginalis mercuric reductase, putative 0.0013 0.0149 0.5
Plasmodium falciparum JmjC domain-containing protein, putative 0.0016 0.0213 0.0734
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0048 0.1022 0.1022
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0016 0.0213 0.0213
Schistosoma mansoni protein phosphatase 2C 0.0016 0.0213 0.0213
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0537 0.0721
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0048 0.1022 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.1038 0.1038
Loa Loa (eye worm) hypothetical protein 0.0282 0.6886 1
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0016 0.0213 0.1042
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0013 0.0149 0.0158
Schistosoma mansoni cpg binding protein 0.0029 0.0537 0.0537
Echinococcus multilocularis cpg binding protein 0.003 0.0578 0.0578
Brugia malayi jmjC domain containing protein 0.0058 0.1286 0.1819
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.1038 0.1038
Plasmodium falciparum transporter, putative 0.0048 0.1022 1
Plasmodium falciparum glutathione reductase 0.0038 0.0764 0.7047
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0048 0.1022 0.1022
Schistosoma mansoni jumonji domain containing protein 0.0058 0.1286 0.1286
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0048 0.1022 0.1022
Schistosoma mansoni hypothetical protein 0.0407 1 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0044 0.0044
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0213 0.0247
Onchocerca volvulus 0.0048 0.1022 0.0763
Brugia malayi jmjC domain containing protein 0.0016 0.0213 0.0251
Brugia malayi Thioredoxin reductase 0.0038 0.0764 0.1056
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.1338 0.1338
Schistosoma mansoni cpg binding protein 0.003 0.0578 0.0578
Schistosoma mansoni hypothetical protein 0.0036 0.0718 0.0718
Echinococcus granulosus sodium and chloride dependent glycine 0.0048 0.1022 0.1022
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0048 0.1022 0.1022
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0048 0.1022 0.1022
Brugia malayi hypothetical protein 0.0048 0.1022 0.1433
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0013 0.0149 0.5
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0013 0.0149 0.0149
Brugia malayi glutathione reductase 0.0038 0.0764 0.1056
Loa Loa (eye worm) hypothetical protein 0.0122 0.2871 0.4132
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0048 0.1022 0.1433
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0048 0.1022 0.1022
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0038 0.0764 0.2985
Loa Loa (eye worm) glutathione reductase 0.0038 0.0764 0.1053
Onchocerca volvulus Huntingtin homolog 0.0122 0.2871 0.3676
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0718 0.0718
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0282 0.6886 1
Loa Loa (eye worm) thioredoxin reductase 0.0038 0.0764 0.1053
Loa Loa (eye worm) hypothetical protein 0.0016 0.0213 0.0247
Loa Loa (eye worm) hypothetical protein 0.0122 0.2871 0.4132
Plasmodium vivax thioredoxin reductase, putative 0.0038 0.0764 0.7047
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1038 0.1038
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0013 0.0149 0.0149
Schistosoma mansoni sodium/chloride dependent transporter 0.0048 0.1022 0.1022
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0048 0.1022 0.8494
Brugia malayi CXXC zinc finger family protein 0.0029 0.0537 0.0725
Plasmodium falciparum amino acid transporter, putative 0.0048 0.1022 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.0776 0.0776
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0044 0.0044
Plasmodium vivax hypothetical protein, conserved 0.0048 0.1022 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0086 0.197 0.8837
Echinococcus granulosus jumonji domain containing 1A 0.0016 0.0213 0.0213
Echinococcus granulosus JmjC domain containing protein 4 0.0016 0.0213 0.0213
Brugia malayi jmjC domain containing protein 0.006 0.1327 0.1879
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0095 0.2209 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0058 0.1286 0.1286
Trypanosoma cruzi trypanothione reductase, putative 0.0038 0.0764 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0048 0.1022 0.1022
Loa Loa (eye worm) serotonin transporter b 0.0282 0.6886 1
Plasmodium falciparum thioredoxin reductase 0.0038 0.0764 0.7047
Echinococcus granulosus lysine specific demethylase 5A 0.006 0.1327 0.1327
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0058 0.1286 0.1286
Leishmania major trypanothione reductase 0.0038 0.0764 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.1022 0.1429
Echinococcus granulosus phd:f box containing protein 0.0016 0.0213 0.0213
Brugia malayi jmjC domain containing protein 0.0016 0.0213 0.0251
Toxoplasma gondii thioredoxin reductase 0.0038 0.0764 0.5985
Treponema pallidum sodium- and chloride- dependent transporter 0.0282 0.6886 1
Schistosoma mansoni jumonji domain containing protein 0.0016 0.0213 0.0213
Echinococcus multilocularis lysine specific demethylase 5A 0.0058 0.1286 0.1286
Plasmodium vivax JmjC domain containing protein 0.0016 0.0213 0.0734
Entamoeba histolytica hypothetical protein 0.0036 0.0718 0.5
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0013 0.0149 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0095 0.2209 1
Echinococcus multilocularis jumonji domain containing 1A 0.0016 0.0213 0.0213
Entamoeba histolytica hypothetical protein 0.0036 0.0718 0.5
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.001 0.0062 0.0031
Loa Loa (eye worm) hypothetical protein 0.0282 0.6886 1
Trypanosoma brucei trypanothione reductase 0.0038 0.0764 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0213 0.0247
Mycobacterium tuberculosis Probable reductase 0.0086 0.197 0.8837
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0048 0.1022 0.1022
Schistosoma mansoni sodium/chloride dependent transporter 0.0282 0.6886 0.6886
Onchocerca volvulus 0.0048 0.1022 0.0763
Schistosoma mansoni sodium-dependent amino acid transporter 0.0048 0.1022 0.1022
Onchocerca volvulus Huntingtin homolog 0.0122 0.2871 0.3676
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0048 0.1022 0.1022
Leishmania major hypothetical protein, conserved 0.0016 0.0213 0.1042
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0213 0.0247
Brugia malayi jmjC domain containing protein 0.0016 0.0213 0.0251
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.0776 0.0776
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0013 0.0149 0.0149
Schistosoma mansoni phd/f-box containing protein 0.0016 0.0213 0.0213
Brugia malayi jmjC domain containing protein 0.0016 0.0213 0.0251
Plasmodium vivax glutathione reductase, putative 0.0038 0.0764 0.7047
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0048 0.1022 0.1022
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0016 0.0213 0.1042
Loa Loa (eye worm) hypothetical protein 0.0048 0.1022 0.1429
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0048 0.1022 0.1429
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0048 0.1022 0.8494
Schistosoma mansoni cpg binding protein 0.003 0.0578 0.0578
Echinococcus granulosus cpg binding protein 0.003 0.0578 0.0578
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0013 0.0149 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.0213 0.0247
Mycobacterium tuberculosis Probable oxidoreductase 0.0095 0.2209 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0048 0.1022 0.1022
Schistosoma mansoni phosphatidylserine receptor 0.0016 0.0213 0.0213
Toxoplasma gondii hypothetical protein 0.0048 0.1022 0.8494
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1038 0.1038
Plasmodium vivax amine transporter, putative 0.0048 0.1022 1
Echinococcus multilocularis dnaJ subfamily B 0.0407 1 1
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0017 0.0253 0.0253
Echinococcus multilocularis JmjC domain containing protein 4 0.0016 0.0213 0.0213
Echinococcus granulosus sodium and chloride dependent glycine 0.0048 0.1022 0.1022
Onchocerca volvulus 0.0048 0.1022 0.0763
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0.0149 0.5
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0095 0.2209 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0048 0.1022 0.1022
Trichomonas vaginalis glutathione reductase, putative 0.0013 0.0149 0.5
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.001 0.0062 0.0031
Giardia lamblia NADH oxidase lateral transfer candidate 0.0013 0.0149 0.5
Onchocerca volvulus 0.0282 0.6886 1
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0718 0.0718
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0017 0.0253 0.0253
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.1038 0.1456
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.1038 0.1038
Loa Loa (eye worm) hypothetical protein 0.0048 0.1022 0.1429
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0048 0.1022 0.1022
Loa Loa (eye worm) hypothetical protein 0.0282 0.6886 1
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0016 0.0213 0.1042
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0048 0.1022 0.1433
Loa Loa (eye worm) hypothetical protein 0.0048 0.1022 0.1429
Echinococcus granulosus serotonin transporter 0.0282 0.6886 0.6886
Echinococcus granulosus lysine specific demethylase 6a 0.0016 0.0213 0.0213
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0086 0.197 0.8837
Echinococcus multilocularis lysine specific demethylase 6a 0.0016 0.0213 0.0213
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0718 0.0718
Loa Loa (eye worm) solute carrier family 6 member 4 0.0282 0.6886 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0048 0.1022 0.1433
Mycobacterium tuberculosis Probable dehydrogenase 0.0086 0.197 0.8837
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0016 0.0213 0.0624
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1038 0.1038
Brugia malayi hypothetical protein 0.0122 0.2871 0.4135
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0016 0.0213 0.0624
Entamoeba histolytica hypothetical protein 0.0036 0.0718 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.
 
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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