Detailed information for compound 654714

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 343.377 | Formula: C18H21N3O4
  • H donors: 3 H acceptors: 2 LogP: 2.87 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)NC(C(=O)N/N=C/c1cccc(c1O)OC)C
  • InChi: 1S/C18H21N3O4/c1-12(20-14-7-9-15(24-2)10-8-14)18(23)21-19-11-13-5-4-6-16(25-3)17(13)22/h4-12,20,22H,1-3H3,(H,21,23)/b19-11+
  • InChiKey: OTKYVLWJBMSMST-YBFXNURJSA-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
Plasmodium vivax glutathione reductase, putative 0.0045 0.2019 1
Echinococcus multilocularis neuropeptide receptor 0.0106 0.6113 0.6113
Plasmodium falciparum glutathione reductase 0.0045 0.2019 1
Trypanosoma brucei trypanothione reductase 0.0045 0.2019 1
Brugia malayi MH2 domain containing protein 0.0115 0.6729 0.7645
Treponema pallidum NADH oxidase 0.0016 0 0.5
Brugia malayi glutathione reductase 0.0045 0.2019 0.2294
Echinococcus multilocularis geminin 0.0163 1 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0103 0.5976 0.8837
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0096 0.5488 0.575
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.6729 0.7342
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0103 0.5976 0.8837
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0045 0.2019 0.2985
Echinococcus granulosus GPCR family 2 0.003 0.1004 0.1004
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.6729 0.7342
Plasmodium vivax thioredoxin reductase, putative 0.0045 0.2019 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0 0.5
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0 0.5
Brugia malayi Latrophilin receptor protein 2 0.003 0.1004 0.1141
Schistosoma mansoni neuropeptide receptor 0.0106 0.6113 0.6113
Brugia malayi Calcitonin receptor-like protein seb-1 0.0096 0.5488 0.6235
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.003 0.1004 0.1004
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0103 0.5976 0.8837
Mycobacterium tuberculosis Probable reductase 0.0103 0.5976 0.8837
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0 0.5
Entamoeba histolytica hypothetical protein 0.0069 0.3618 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.0045 0.2019 0.2019
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0 0.5
Echinococcus granulosus neuropeptide receptor 0.0106 0.6113 0.6113
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.003 0.1004 0.1141
Echinococcus multilocularis GPCR, family 2 0.003 0.1004 0.1004
Schistosoma mansoni hypothetical protein 0.0163 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.003 0.1004 0.1004
Onchocerca volvulus 0.0145 0.8802 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.0045 0.2019 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.003 0.1004 0.1004
Loa Loa (eye worm) hypothetical protein 0.0066 0.3413 0.3088
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0 0.5
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0103 0.5976 0.8837
Schistosoma mansoni hypothetical protein 0.003 0.1004 0.1004
Loa Loa (eye worm) thioredoxin reductase 0.0045 0.2019 0.1301
Schistosoma mansoni hypothetical protein 0.0069 0.3618 0.3618
Brugia malayi hypothetical protein 0.0069 0.3618 0.411
Entamoeba histolytica hypothetical protein 0.0069 0.3618 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0115 0.6763 1
Trichomonas vaginalis mercuric reductase, putative 0.0016 0 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.0045 0.2019 0.2019
Toxoplasma gondii thioredoxin reductase 0.0045 0.2019 1
Schistosoma mansoni transcription factor LCR-F1 0.0069 0.3618 0.3618
Trichomonas vaginalis glutathione reductase, putative 0.0016 0 0.5
Entamoeba histolytica hypothetical protein 0.0069 0.3618 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0115 0.6763 1
Schistosoma mansoni hypothetical protein 0.0163 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.8802 1
Brugia malayi latrophilin 2 splice variant baaae 0.0066 0.3413 0.3877
Schistosoma mansoni hypothetical protein 0.003 0.1004 0.1004
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0069 0.3618 0.3618
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0096 0.5488 0.6235
Brugia malayi hypothetical protein 0.0145 0.8802 1
Schistosoma mansoni hypothetical protein 0.0066 0.3413 0.3413
Brugia malayi Thioredoxin reductase 0.0045 0.2019 0.2294
Echinococcus multilocularis G protein coupled receptor 139 0.0106 0.6113 0.6113
Leishmania major trypanothione reductase 0.0045 0.2019 1
Plasmodium falciparum thioredoxin reductase 0.0045 0.2019 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0103 0.5976 0.8837
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0069 0.3618 0.3618
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.003 0.1004 0.1004
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0115 0.6763 1
Entamoeba histolytica hypothetical protein 0.0069 0.3618 0.5
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0 0.5
Schistosoma mansoni hypothetical protein 0.003 0.1004 0.1004
Loa Loa (eye worm) glutathione reductase 0.0045 0.2019 0.1301
Schistosoma mansoni hypothetical protein 0.003 0.1004 0.1004
Loa Loa (eye worm) hypothetical protein 0.0096 0.5488 0.575
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0115 0.6763 1

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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