Detailed information for compound 837379

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 370.378 | Formula: C19H19FN4O3
  • H donors: 1 H acceptors: 4 LogP: 2.8 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1nn2c(n1)N=C1C(=C(O)CC(C1)(C)C)C2c1ccc(cc1)F
  • InChi: 1S/C19H19FN4O3/c1-19(2)8-12-14(13(25)9-19)15(10-4-6-11(20)7-5-10)24-18(21-12)22-16(23-24)17(26)27-3/h4-7,15,25H,8-9H2,1-3H3
  • InChiKey: NQLIMOHOMBHSDQ-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
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0045 0.024 0.0255
Echinococcus granulosus acetylcholinesterase 0.0264 1 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.024 0.024
Brugia malayi Carboxylesterase family protein 0.0045 0.024 0.024
Echinococcus granulosus sterol O acyltransferase 1 0.023 0.849 0.849
Brugia malayi hypothetical protein 0.0045 0.024 0.024
Mycobacterium leprae conserved hypothetical protein 0.0039 0 0.5
Brugia malayi Carboxylesterase family protein 0.0045 0.024 0.024
Echinococcus granulosus geminin 0.0184 0.6467 0.6467
Loa Loa (eye worm) hypothetical protein 0.0264 1 1
Loa Loa (eye worm) carboxylesterase 0.0045 0.024 0.024
Loa Loa (eye worm) acetylcholinesterase 1 0.0264 1 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0045 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.023 0.849 0.849
Echinococcus granulosus BC026374 protein S09 family 0.0045 0.024 0.024
Toxoplasma gondii ABC1 family protein 0.0039 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.024 0.024
Echinococcus granulosus acetylcholinesterase 0.0264 1 1
Echinococcus multilocularis neuroligin 0.0045 0.024 0.024
Schistosoma mansoni hypothetical protein 0.0184 0.6467 0.6467
Echinococcus multilocularis geminin 0.0184 0.6467 0.6467
Echinococcus granulosus neuroligin 0.0045 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0045 0.024 0.024
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0045 0.024 1
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0 0.5
Schistosoma mansoni sterol O-acyltransferase 1 0.023 0.849 0.849
Plasmodium vivax hypothetical protein, conserved 0.0039 0 0.5
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0045 0.024 0.0255
Schistosoma mansoni hypothetical protein 0.0184 0.6467 0.6467
Loa Loa (eye worm) hypothetical protein 0.0045 0.024 0.024
Trichomonas vaginalis spcc417.12 protein, putative 0.0045 0.024 1
Loa Loa (eye worm) carboxylesterase 0.0045 0.024 0.024
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0264 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0045 0.024 0.024
Echinococcus multilocularis acetylcholinesterase 0.0264 1 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0045 0.024 0.024
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0045 0.024 0.024
Schistosoma mansoni gliotactin 0.0045 0.024 0.024
Trypanosoma brucei hypothetical protein, conserved 0.0039 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.024 0.024
Mycobacterium tuberculosis Possible penicillin-binding protein 0.025 0.9403 1
Onchocerca volvulus 0.0045 0.024 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0045 0.024 0.024
Brugia malayi Carboxylesterase family protein 0.0045 0.024 0.024
Mycobacterium tuberculosis Carboxylesterase LipT 0.0045 0.024 0.0255
Schistosoma mansoni acetylcholinesterase 0.0045 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0045 0.024 0.024
Echinococcus granulosus carboxylesterase 5A 0.0264 1 1
Echinococcus multilocularis acetylcholinesterase 0.0264 1 1
Echinococcus multilocularis carboxylesterase 5A 0.0264 1 1
Onchocerca volvulus 0.0045 0.024 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0045 0.024 1
Brugia malayi Carboxylesterase family protein 0.0264 1 1
Onchocerca volvulus 0.0045 0.024 1
Mycobacterium leprae Probable lipase LipE 0.0039 0 0.5
Brugia malayi Carboxylesterase family protein 0.0045 0.024 0.024
Schistosoma mansoni BC026374 protein (S09 family) 0.0045 0.024 0.024
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0045 0.024 0.024
Echinococcus multilocularis sterol O acyltransferase 1 0.023 0.849 0.849
Loa Loa (eye worm) carboxylesterase 0.0264 1 1
Onchocerca volvulus 0.0045 0.024 1
Echinococcus granulosus para nitrobenzyl esterase 0.0045 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0207 0.7491 0.7491
Onchocerca volvulus 0.0045 0.024 1
Leishmania major hypothetical protein, conserved 0.0039 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0264 1 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.024 0.024
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0045 0.024 0.024
Schistosoma mansoni neuroligin 3 (S09 family) 0.0045 0.024 0.024

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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