Detailed information for compound 1008761

Basic information

Technical information
  • TDR Targets ID: 1008761
  • Name: [2-(2-chlorophenyl)-2-(octanoylamino)ethyl] d ihydrogen phosphate
  • MW: 377.8 | Formula: C16H25ClNO5P
  • H donors: 3 H acceptors: 4 LogP: 2.91 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCC(=O)NC(c1ccccc1Cl)COP(=O)(O)O
  • InChi: 1S/C16H25ClNO5P/c1-2-3-4-5-6-11-16(19)18-15(12-23-24(20,21)22)13-9-7-8-10-14(13)17/h7-10,15H,2-6,11-12H2,1H3,(H,18,19)(H2,20,21,22)
  • InChiKey: WVKXYVGIKXAOKA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-(2-chlorophenyl)-2-(1-oxooctylamino)ethyl] dihydrogen phosphate
  • [2-(caprylylamino)-2-(2-chlorophenyl)ethyl] dihydrogen phosphate

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 NAD(P)H quinone reductase LpdA 0.0138 0.7461 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 0.3084 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0138 0.7461 1
Schistosoma mansoni hypothetical protein 0.0175 1 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0124 0.6529 0.8342
Plasmodium falciparum glutathione reductase 0.0054 0.1841 1
Schistosoma mansoni hypothetical protein 0.0175 1 1
Brugia malayi RNA binding protein 0.0073 0.3084 1
Plasmodium vivax thioredoxin reductase, putative 0.0054 0.1841 1
Leishmania major trypanothione reductase 0.0054 0.1841 1
Trypanosoma brucei trypanothione reductase 0.0054 0.1841 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0124 0.6529 0.8342
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.1617 0.5244
Schistosoma mansoni tar DNA-binding protein 0.0073 0.3084 0.3084
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0124 0.6529 0.8342
Brugia malayi Thioredoxin reductase 0.0054 0.1841 0.597
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.1617 0.1617
Plasmodium falciparum thioredoxin reductase 0.0054 0.1841 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.1617 0.1617
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1617 0.1617
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0124 0.6529 0.8342
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.1617 0.1617
Schistosoma mansoni tar DNA-binding protein 0.0073 0.3084 0.3084
Loa Loa (eye worm) RNA binding protein 0.0073 0.3084 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0138 0.7461 1
Echinococcus granulosus tar DNA binding protein 0.0073 0.3084 0.3084
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1617 0.1617
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.1617 0.5244
Echinococcus granulosus thioredoxin glutathione reductase 0.0054 0.1841 0.1841
Brugia malayi RNA recognition motif domain containing protein 0.0073 0.3084 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.1617 0.1617
Mycobacterium tuberculosis Probable reductase 0.0124 0.6529 0.8342
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0027 0 0.5
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0124 0.6529 0.8342
Brugia malayi glutathione reductase 0.0054 0.1841 0.597
Schistosoma mansoni tar DNA-binding protein 0.0073 0.3084 0.3084
Loa Loa (eye worm) thioredoxin reductase 0.0054 0.1841 0.597
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1617 0.1617
Giardia lamblia TCP-1 chaperonin subunit beta 0.0027 0 0.5
Loa Loa (eye worm) TAR-binding protein 0.0073 0.3084 1
Echinococcus multilocularis geminin 0.0175 1 1
Loa Loa (eye worm) glutathione reductase 0.0054 0.1841 0.597
Echinococcus multilocularis thioredoxin glutathione reductase 0.0054 0.1841 0.1841
Trichomonas vaginalis chaperonin-60kD, ch60, putative 0.0027 0 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.0054 0.1841 1
Echinococcus multilocularis tar DNA binding protein 0.0073 0.3084 0.3084
Trichomonas vaginalis chaperonin, putative 0.0027 0 0.5
Toxoplasma gondii thioredoxin reductase 0.0054 0.1841 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0138 0.7461 1
Schistosoma mansoni tar DNA-binding protein 0.0073 0.3084 0.3084
Plasmodium vivax glutathione reductase, putative 0.0054 0.1841 1
Brugia malayi TAR-binding protein 0.0073 0.3084 1
Schistosoma mansoni tar DNA-binding protein 0.0073 0.3084 0.3084

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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