Detailed information for compound 2250330

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 557.194 | Formula: C24H33FN3O9P
  • H donors: 3 H acceptors: 5 LogP: 1.98 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCOC(=O)[C@@H](NP(=O)(Oc1ccccc1)OC[C@H]1O[C@H]([C@@]([C@@H]1O)(C)F)n1ccc(=O)[nH]c1=O)C
  • InChi: InChI=1S/C24H33FN3O9P/c1-4-5-9-14-34-21(31)16(2)27-38(33,37-17-10-7-6-8-11-17)35-15-18-20(30)24(3,25)22(36-18)28-13-12-19(29)26-23(28)32/h6-8,10-13,16,18,20,22,30H,4-5,9,14-15H2,1-3H3,(H,27,33)(H,26,29,32)/t16-,18+,20+,22+,24-,38?/m0/s1
  • InChiKey: QKYURKVGZZFGBL-ZCXANLJTSA-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
Toxoplasma gondii propionate-CoA ligase 0.0007 0 0.5
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0007 0 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.5844 0.5844
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.7367 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.6421 0.6421
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.6421 0.6421
Giardia lamblia DINP protein human, muc B family 0.0019 0.7367 0.5
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.7367 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.7367 0.7367
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 1 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.7367 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.7367 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 1 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.7367 0.7367
Brugia malayi AMP-binding enzyme family protein 0.0023 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.379 0.5145
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.7367 1
Mycobacterium ulcerans hypothetical protein 0.0023 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.5844 0.5844
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.7367 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.7367 1
Echinococcus granulosus dna polymerase eta 0.0019 0.7367 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.6421 0.6421
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.379 0.5145
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.7367 0.7367
Loa Loa (eye worm) hypothetical protein 0.0017 0.6421 0.6421
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.7367 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.6421 0.6421
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.6421 0.6421
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.7367 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.379 0.5145
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.7367 0.7367
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.7367 0.7367
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.7367 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.7367 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 1 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.7367 1
Loa Loa (eye worm) hypothetical protein 0.0023 1 1
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.7367 1
Leishmania major DNA polymerase eta, putative 0.0019 0.7367 0.7367
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.6421 1
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.7367 0.7367
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.5844 0.5844
Trypanosoma brucei unspecified product 0.0019 0.7367 1
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0007 0 0.5
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.7367 1
Brugia malayi AMP-binding enzyme family protein 0.0023 1 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 1 1
Leishmania major DNA polymerase kappa, putative 0.0019 0.7367 0.7367
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.7367 0.7367
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.7367 0.7367
Trypanosoma brucei unspecified product 0.0013 0.379 0.5145
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.6421 1
Echinococcus multilocularis dna polymerase kappa 0.0019 0.7367 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.7367 1
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.7367 0.7367
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.7367 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.7367 1
Echinococcus granulosus dna polymerase kappa 0.0019 0.7367 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.7367 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 1 1
Schistosoma mansoni DNA polymerase eta 0.0019 0.7367 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.7367 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.7367 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.7367 0.7367
Loa Loa (eye worm) hypothetical protein 0.0023 1 1
Echinococcus multilocularis dna polymerase eta 0.0019 0.7367 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.7367 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.7367 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.7367 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.6421 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.5844 0.5844
Onchocerca volvulus 0.0023 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.7367 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.7367 1
Trypanosoma brucei unspecified product 0.0013 0.379 0.5145
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.6421 0.6421
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 1 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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