Detailed information for compound 1565456

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 398.282 | Formula: C17H23IN2O
  • H donors: 1 H acceptors: 1 LogP: 3.54 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Ic1ccc(cc1)C(=O)NCCCCN1CC2CC1CC2
  • InChi: 1S/C17H23IN2O/c18-15-6-4-14(5-7-15)17(21)19-9-1-2-10-20-12-13-3-8-16(20)11-13/h4-7,13,16H,1-3,8-12H2,(H,19,21)
  • InChiKey: FLTWPLPSPPBJFQ-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
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0112 0.0933 0.0657
Brugia malayi Matrixin family protein 0.0156 0.1813 0.2563
Loa Loa (eye worm) hypothetical protein 0.0112 0.0933 0.15
Brugia malayi Matrixin family protein 0.0156 0.1813 0.2563
Echinococcus multilocularis disintegrin and metalloproteinase 0.0168 0.2051 0.1809
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0191 0.249 0.5
Schistosoma mansoni hypothetical protein 0.0084 0.0383 0.0169
Schistosoma mansoni ryanodine receptor related 0.0342 0.5504 1
Onchocerca volvulus 0.0222 0.3111 0.3431
Echinococcus multilocularis ryanodine receptor 44f 0.0277 0.421 0.4034
Loa Loa (eye worm) matrix metalloproteinase 0.0156 0.1813 0.2916
Brugia malayi Disintegrin family protein 0.0168 0.2051 0.2965
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0105 0.0785 0.0941
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0191 0.249 0.3706
Brugia malayi Matrixin family protein 0.0156 0.1813 0.2563
Loa Loa (eye worm) disintegrin family protein 0.0123 0.114 0.1834
Loa Loa (eye worm) matrixin family protein 0.0347 0.5596 0.9001
Brugia malayi Matrixin family protein 0.0156 0.1813 0.2563
Mycobacterium ulcerans hydrolase 0.0191 0.249 0.5
Loa Loa (eye worm) hypothetical protein 0.0156 0.1813 0.2916
Echinococcus granulosus ryanodine receptor 44f 0.0277 0.421 0.4034
Echinococcus granulosus disintegrin and metalloproteinase 0.0168 0.2051 0.1809
Brugia malayi Hemopexin family protein 0.0222 0.3111 0.4755
Loa Loa (eye worm) hypothetical protein 0.0156 0.1813 0.2916
Brugia malayi Ryanodine Receptor TM 4-6 family protein 0.0342 0.5504 0.8796
Loa Loa (eye worm) ryanodine receptor 0.0128 0.1246 0.2004
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0112 0.0933 0.0657
Schistosoma mansoni hypothetical protein 0.0222 0.3111 0.5406
Loa Loa (eye worm) ryanodine receptor 0.0081 0.0311 0.05
Loa Loa (eye worm) hypothetical protein 0.0216 0.2999 0.4825
Mycobacterium leprae PROBABLE HYDROLASE 0.0191 0.249 0.5
Brugia malayi cation channel family protein 0.0146 0.1613 0.2225
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0569 1 1
Loa Loa (eye worm) hypothetical protein 0.0191 0.249 0.4005
Loa Loa (eye worm) hypothetical protein 0.0156 0.1813 0.2916
Onchocerca volvulus Matrilysin homolog 0.0347 0.5596 1
Leishmania major hypothetical protein, conserved 0.0084 0.0373 0.5
Echinococcus granulosus ryanodine receptor 44f 0.0216 0.2999 0.2787
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0123 0.1157 0.5
Onchocerca volvulus Matrix metalloproteinase homolog 0.0347 0.5596 1
Schistosoma mansoni dihydroceramide desaturase 0.0168 0.2051 0.3371
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0156 0.1813 0.2914
Brugia malayi Matrixin family protein 0.0378 0.6217 1
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0123 0.1157 0.5
Loa Loa (eye worm) matrixin family protein 0.0378 0.6217 1
Echinococcus multilocularis ryanodine receptor 44f 0.0216 0.2999 0.2787
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0165 0.1985 0.3245

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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