Detailed information for compound 801507

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 459.535 | Formula: C24H33N3O6
  • H donors: 2 H acceptors: 2 LogP: 1.57 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)NC1c1ccc(cc1)OC(C)C
  • InChi: 1S/C24H33N3O6/c1-4-30-22(28)20-19(15-27-11-9-24(10-12-27)31-13-14-32-24)25-23(29)26-21(20)17-5-7-18(8-6-17)33-16(2)3/h5-8,16,21H,4,9-15H2,1-3H3,(H2,25,26,29)
  • InChiKey: UIPKZWXHZDEDPC-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
Mycobacterium tuberculosis Probable reductase 0.0085 0.333 0.8573
Chlamydia trachomatis AMP nucleosidase 0.0028 0 0.5
Treponema pallidum pfs protein (pfs) 0.0028 0 0.5
Plasmodium falciparum thioredoxin reductase 0.0037 0.0539 1
Echinococcus granulosus geminin 0.0184 0.9136 0.9136
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0085 0.333 0.8573
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0085 0.333 0.8573
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0028 0 0.5
Schistosoma mansoni hypothetical protein 0.0184 0.9136 0.9136
Loa Loa (eye worm) glutathione reductase 0.0037 0.0539 0.0539
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0028 0 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.0539 1
Treponema pallidum uridine phosphorylase (udp) 0.0028 0 0.5
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0028 0 0.5
Schistosoma mansoni uridine phosphorylase 0.0198 1 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0028 0 0.5
Echinococcus multilocularis geminin 0.0184 0.9136 0.9136
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0028 0 0.5
Echinococcus granulosus uridine phosphorylase 1 0.0198 1 1
Schistosoma mansoni hypothetical protein 0.0184 0.9136 0.9136
Mycobacterium tuberculosis Probable dehydrogenase 0.0085 0.333 0.8573
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0028 0 0.5
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0085 0.333 0.8573
Plasmodium vivax glutathione reductase, putative 0.0037 0.0539 1
Mycobacterium leprae probable uridine phosphorylase 0.0198 1 1
Plasmodium falciparum glutathione reductase 0.0037 0.0539 1
Trichomonas vaginalis conserved hypothetical protein 0.0028 0 0.5
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0028 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0028 0 0.5
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0028 0 0.5
Brugia malayi Thioredoxin reductase 0.0037 0.0539 0.0539
Trypanosoma brucei trypanothione reductase 0.0037 0.0539 1
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.0539 0.0539
Schistosoma mansoni uridine phosphorylase 0.0198 1 1
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0028 0 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.0539 1
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.0028 0 0.5
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0028 0 0.5
Brugia malayi glutathione reductase 0.0037 0.0539 0.0539
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.0539 0.1389
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0094 0.3885 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0094 0.3885 0.3885
Giardia lamblia UPL-1 0.0028 0 0.5
Leishmania major trypanothione reductase 0.0037 0.0539 1
Echinococcus multilocularis uridine phosphorylase 1 0.0198 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0094 0.3885 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0028 0 0.5
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0028 0 0.5
Mycobacterium ulcerans bifunctional Mta/Sah nucleosidase Mtn 0.0028 0 0.5
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0028 0 0.5
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0028 0 0.5
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0094 0.3885 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0028 0 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.0569 0.0569
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0085 0.333 0.8573
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0028 0 0.5
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0028 0 0.5
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0028 0 0.5
Loa Loa (eye worm) uridine phosphorylase 0.0198 1 1
Entamoeba histolytica hypothetical protein 0.0028 0 0.5
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0028 0 0.5
Mycobacterium ulcerans purine nucleoside phosphorylase 0.0028 0 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.0569 0.0569
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0085 0.333 0.333
Toxoplasma gondii thioredoxin reductase 0.0037 0.0539 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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