Detailed information for compound 805173

Basic information

Technical information
  • TDR Targets ID: 805173
  • Name: 3-[(3-fluorophenyl)amino]-2-(furan-2-ylmethyl )-3H-isoindol-1-one
  • MW: 322.333 | Formula: C19H15FN2O2
  • H donors: 1 H acceptors: 1 LogP: 3.46 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)NC1N(Cc2ccco2)C(=O)c2c1cccc2
  • InChi: 1S/C19H15FN2O2/c20-13-5-3-6-14(11-13)21-18-16-8-1-2-9-17(16)19(23)22(18)12-15-7-4-10-24-15/h1-11,18,21H,12H2
  • InChiKey: YQBRGDYUVXJXEH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[(3-fluorophenyl)amino]-2-(2-furylmethyl)isoindolin-1-one
  • 3-[(3-fluorophenyl)amino]-2-(2-furylmethyl)-1-isoindolinone

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
Brugia malayi Myb-like DNA-binding domain containing protein 0.0164 0.2432 0.6596
Echinococcus granulosus lysine specific histone demethylase 1A 0.0202 0.3263 0.2858
Brugia malayi neuroendocrine convertase 1 precursor 0.0091 0.0823 0.206
Schistosoma mansoni hypothetical protein 0.008 0.0568 0.0373
Echinococcus granulosus neuroendocrine convertase 2 0.0091 0.0823 0.027
Echinococcus granulosus furin 0.0145 0.2013 0.1531
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0088 0.0756 0.0199
Brugia malayi SWIRM domain containing protein 0.0219 0.364 1
Loa Loa (eye worm) hypothetical protein 0.0202 0.3263 0.8946
Loa Loa (eye worm) hypothetical protein 0.0145 0.2013 0.5446
Giardia lamblia High cysteine membrane protein Group 2 0.0054 0 0.5
Echinococcus multilocularis 0.0117 0.1393 0.0931
Schistosoma mansoni hypothetical protein 0.0507 1 1
Brugia malayi proprotein convertase 2 0.0091 0.0823 0.206
Echinococcus multilocularis tumor protein p63 0.0214 0.3529 0.3182
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0088 0.0756 0.5
Brugia malayi celfurPC protein 0.0117 0.1393 0.3668
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0088 0.0756 0.5
Schistosoma mansoni thyroid hormone receptor 0.0111 0.1253 0.1072
Toxoplasma gondii hypothetical protein 0.0256 0.4463 0.5
Loa Loa (eye worm) hypothetical protein 0.0202 0.3263 0.8946
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0088 0.0756 0.026
Schistosoma mansoni copper/topaquinone oxidase 0.0507 1 1
Schistosoma mansoni thyroid hormone receptor 0.0111 0.1253 0.1072
Echinococcus multilocularis neuroendocrine convertase 2 0.0091 0.0823 0.033
Schistosoma mansoni retinoic acid receptor RXR 0.0093 0.0871 0.0682
Brugia malayi endoprotease bli-4 precursor 0.0145 0.2013 0.5414
Loa Loa (eye worm) hypothetical protein 0.0058 0.0092 0.0071
Echinococcus multilocularis thyroid hormone receptor alpha 0.0111 0.1253 0.0783
Echinococcus granulosus tumor protein p63 0.0214 0.3529 0.314
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.008 0.0568 0.0062
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0202 0.3263 0.2902
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0202 0.3263 0.3124
Echinococcus multilocularis amiloride sensitive amine oxidase 0.0507 1 1
Loa Loa (eye worm) hypothetical protein 0.0219 0.364 1
Loa Loa (eye worm) endoprotease bli-4 0.0145 0.2013 0.5446
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0145 0.2013 0.1847
Onchocerca volvulus 0.0219 0.364 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0093 0.0871 0.0321
Loa Loa (eye worm) hypothetical protein 0.0169 0.2538 0.6917
Loa Loa (eye worm) hypothetical protein 0.0164 0.2432 0.662

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.