Detailed information for compound 1529687

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 347.427 | Formula: C19H26FN3O2
  • H donors: 1 H acceptors: 1 LogP: 3.07 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1C(=NC(C(=C1C)C(=O)OC)c1cccc(c1)F)NCC(C)C
  • InChi: 1S/C19H26FN3O2/c1-6-23-13(4)16(18(24)25-5)17(14-8-7-9-15(20)10-14)22-19(23)21-11-12(2)3/h7-10,12,17H,6,11H2,1-5H3,(H,21,22)
  • InChiKey: IAUKIJHXUUMCBS-UHFFFAOYSA-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
Loa Loa (eye worm) hypothetical protein 0.0043 0.0358 0.038
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0358 0.5
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0358 0.5
Mycobacterium ulcerans hypothetical protein 0.0043 0.0358 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0842 0.0893
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0264 0.9424 1
Loa Loa (eye worm) glutamate receptor 0.0214 0.7387 0.7838
Brugia malayi beta-lactamase family protein 0.0043 0.0358 0.0485
Mycobacterium ulcerans beta-lactamase 0.0043 0.0358 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0358 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0358 0.0417
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0842 0.0893
Schistosoma mansoni metabotropic glutamate receptor 0.0179 0.5955 0.6929
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0358 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0358 0.038
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0842 0.0893
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0358 0.038
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0244 0.8595 1
Echinococcus granulosus metabotropic glutamate receptor 5 0.0264 0.9424 1
Echinococcus granulosus metabotropic glutamate receptor 2 0.0179 0.5955 0.6319
Loa Loa (eye worm) beta-lactamase 0.0043 0.0358 0.038
Loa Loa (eye worm) hypothetical protein 0.0043 0.0358 0.038
Brugia malayi beta-lactamase family protein 0.0043 0.0358 0.0485
Loa Loa (eye worm) hypothetical protein 0.0043 0.0358 0.038
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0194 0.6558 0.8878
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0842 0.098
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0842 0.0893
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0358 0.5
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0358 0.5
Onchocerca volvulus 0.0043 0.0358 1
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0179 0.5955 0.6319
Loa Loa (eye worm) hypothetical protein 0.0055 0.0829 0.088
Loa Loa (eye worm) hypothetical protein 0.0043 0.0358 0.038
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0055 0.0829 0.088
Brugia malayi beta-lactamase 0.0043 0.0358 0.0485
Loa Loa (eye worm) hypothetical protein 0.0264 0.9424 1
Mycobacterium ulcerans lipase LipD 0.0043 0.0358 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0358 0.5
Brugia malayi Receptor family ligand binding region containing protein 0.0055 0.0829 0.1122
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0842 0.114
Toxoplasma gondii ABC1 family protein 0.0043 0.0358 0.5
Onchocerca volvulus 0.0043 0.0358 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0358 0.0417
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0358 0.5
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0055 0.0829 0.088
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0358 0.0485
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0842 0.0893
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0358 0.5
Brugia malayi metabotropic glutamate receptor type 2 0.0104 0.2867 0.3881
Loa Loa (eye worm) glutamate receptor 0.0084 0.2038 0.2162
Loa Loa (eye worm) hypothetical protein 0.0043 0.0358 0.038
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0358 0.5
Leishmania major hypothetical protein, conserved 0.0043 0.0358 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0358 0.5
Brugia malayi Metabotropic glutamate receptor precursor. 0.0214 0.7387 1
Schistosoma mansoni metabotropic glutamate receptor 0.0104 0.2867 0.3335
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0358 0.038
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0358 0.5
Onchocerca volvulus 0.0043 0.0358 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0842 0.098
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0842 0.098
Mycobacterium leprae Probable lipase LipE 0.0043 0.0358 0.5
Trichomonas vaginalis esterase, putative 0.0043 0.0358 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0358 0.038

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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