Detailed information for compound 1167932

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 282.34 | Formula: C16H18N4O
  • H donors: 0 H acceptors: 4 LogP: 0.99 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCc2c(CC1)ncnc2C)Cc1ccccn1
  • InChi: 1S/C16H18N4O/c1-12-14-5-8-20(9-6-15(14)19-11-18-12)16(21)10-13-4-2-3-7-17-13/h2-4,7,11H,5-6,8-10H2,1H3
  • InChiKey: GSXMEMPJAWDNIJ-UHFFFAOYSA-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
Plasmodium falciparum thioredoxin reductase 0.0051 0.2727 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.013 0.7829 1
Mycobacterium tuberculosis Probable reductase 0.0117 0.6983 0.892
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.3671 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0018 0.0556 0.071
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.013 0.7829 1
Toxoplasma gondii aldehyde dehydrogenase 0.0066 0.3671 1
Toxoplasma gondii thioredoxin reductase 0.0051 0.2727 0.697
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0117 0.6983 0.892
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.0556 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0018 0.0556 0.1514
Trichomonas vaginalis mercuric reductase, putative 0.0018 0.0556 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.3671 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0018 0.0556 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.0051 0.2727 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0018 0.0556 0.1514
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.3671 0.3671
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.3671 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0051 0.2727 0.7428
Leishmania major trypanothione reductase 0.0051 0.2727 0.697
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0018 0.0556 0.1514
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0066 0.3671 0.4689
Plasmodium vivax glutathione reductase, putative 0.0051 0.2727 1
Brugia malayi MH2 domain containing protein 0.0121 0.7241 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0117 0.6983 0.892
Plasmodium falciparum glutathione reductase 0.0051 0.2727 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0018 0.0556 0.1514
Trypanosoma brucei trypanothione reductase 0.0051 0.2727 1
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.3671 0.3671
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.0556 0.0437
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.3671 1
Brugia malayi glutathione reductase 0.0051 0.2727 0.3543
Trichomonas vaginalis glutathione reductase, putative 0.0018 0.0556 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0117 0.6983 0.892
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0051 0.2727 0.3483
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.0556 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0117 0.6983 0.892
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0018 0.0556 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.7241 1
Treponema pallidum NADH oxidase 0.0018 0.0556 1
Mycobacterium tuberculosis Probable oxidoreductase 0.013 0.7829 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0117 0.6983 0.892
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.013 0.7829 1
Plasmodium vivax thioredoxin reductase, putative 0.0051 0.2727 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0018 0.0556 0.0556
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0117 0.6983 0.892
Brugia malayi Thioredoxin reductase 0.0051 0.2727 0.3543
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.3671 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.7241 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0051 0.2727 0.7428
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0018 0.0556 0.1514
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.3671 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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