Detailed information for compound 1147234

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 360.365 | Formula: C17H20N4O5
  • H donors: 3 H acceptors: 3 LogP: -0.79 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCC1=C(N)C(=O)C2=C(C1=O)N1C[C@H]3[C@@H]([C@@]1([C@@H]2COC(=O)N)OC)N3
  • InChi: 1S/C17H20N4O5/c1-3-4-7-11(18)14(23)10-8(6-26-16(19)24)17(25-2)15-9(20-15)5-21(17)12(10)13(7)22/h3,8-9,15,20H,1,4-6,18H2,2H3,(H2,19,24)/t8-,9+,15+,17-/m1/s1
  • InChiKey: MGHHPKFVKPZOCP-CJUKMMNNSA-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
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0066 0.3266 0.3266
Brugia malayi glutathione reductase 0.0047 0.2019 0.2345
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0148 0.8609 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0 0.5
Mycobacterium tuberculosis Probable dehydrogenase 0.0108 0.5976 0.6942
Echinococcus granulosus proteasome prosome macropain 0.0148 0.8609 0.8609
Plasmodium falciparum glutathione reductase 0.0047 0.2019 0.2345
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0108 0.5976 0.6942
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0066 0.3266 0.3793
Trypanosoma brucei proteasome beta 6 subunit 0.0066 0.3266 0.3793
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0 0.5
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0066 0.3266 0.3266
Leishmania major proteasome beta 5 subunit, putative 0.0148 0.8609 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.2019 0.2019
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.2019 0.2345
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.2019 0.2345
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0066 0.3266 0.3793
Mycobacterium tuberculosis Probable reductase 0.0108 0.5976 0.6942
Giardia lamblia Proteasome subunit beta type 1 0.0066 0.3266 0.3793
Mycobacterium tuberculosis Probable oxidoreductase 0.012 0.6763 0.7855
Leishmania major trypanothione reductase 0.0047 0.2019 0.2345
Toxoplasma gondii proteasome subunit beta type, putative 0.0148 0.8609 1
Echinococcus multilocularis proteasome (prosome, macropain) 0.0148 0.8609 0.8609
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0066 0.3266 0.3793
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0108 0.5976 0.6942
Plasmodium vivax glutathione reductase, putative 0.0047 0.2019 0.2345
Brugia malayi Thioredoxin reductase 0.0047 0.2019 0.2345
Treponema pallidum NADH oxidase 0.0016 0 0.5
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0148 0.8609 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0148 0.8609 1
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0148 0.8609 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.012 0.6763 0.7855
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0108 0.5976 0.6942
Schistosoma mansoni hypothetical protein 0.0169 1 1
Plasmodium falciparum proteasome subunit beta type-5 0.0148 0.8609 1
Loa Loa (eye worm) proteasome subunit beta type 1 0.0066 0.3266 0.1892
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.012 0.6763 0.2987
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0066 0.3266 0.3793
Schistosoma mansoni hypothetical protein 0.0169 1 1
Brugia malayi Proteasome A-type and B-type family protein 0.0148 0.8609 1
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0148 0.8609 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0148 0.8609 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0108 0.5976 0.6942
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.2019 0.2345
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.012 0.6763 0.7855
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.2019 0.2019
Brugia malayi proteasome subunit beta type 1 0.0066 0.3266 0.3793
Plasmodium vivax proteasome subunit beta type-1, putative 0.0066 0.3266 0.3793
Toxoplasma gondii thioredoxin reductase 0.0047 0.2019 0.2345
Plasmodium vivax proteasome subunit beta type-5, putative 0.0148 0.8609 1
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0148 0.8609 0.8609
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0148 0.8609 1
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0148 0.8609 1
Plasmodium falciparum thioredoxin reductase 0.0047 0.2019 0.2345
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0066 0.3266 0.3793
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0 0.5
Echinococcus multilocularis geminin 0.0169 1 1
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0148 0.8609 1
Mycobacterium ulcerans proteasome PrcB 0.0148 0.8609 1
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0066 0.3266 0.3266
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0066 0.3266 0.3793
Trypanosoma brucei trypanothione reductase 0.0047 0.2019 0.2345

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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