Detailed information for compound 727834

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 408.876 | Formula: C20H25ClN2O5
  • H donors: 1 H acceptors: 3 LogP: 3.28 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(C1CCN(CC1)C(=O)c1noc(c1)COc1ccc(cc1Cl)OC)O
  • InChi: 1S/C20H25ClN2O5/c1-3-18(24)13-6-8-23(9-7-13)20(25)17-11-15(28-22-17)12-27-19-5-4-14(26-2)10-16(19)21/h4-5,10-11,13,18,24H,3,6-9,12H2,1-2H3
  • InChiKey: GHEAEOQRFAFQHT-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.4054 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0021 0.0169 0.0207
Brugia malayi Bromodomain containing protein 0.0036 0.1063 0.0784
Trypanosoma cruzi polo-like protein kinase, putative 0.0086 0.4054 0.5
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0086 0.4054 0.4982
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0034 0.0929 0.1142
Schistosoma mansoni hypothetical protein 0.0031 0.0752 0.1855
Loa Loa (eye worm) hypothetical protein 0.004 0.131 0.1258
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0056 0.2279 0.28
Schistosoma mansoni serine/threonine protein kinase 0.0086 0.4054 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.2904 0.2862
Brugia malayi Calcitonin receptor-like protein seb-1 0.0045 0.1614 0.1352
Trypanosoma brucei polo-like protein kinase 0.0086 0.4054 0.5
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0021 0.0169 0.0416
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0021 0.0169 0.0207
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.4054 1
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.4054 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0034 0.0929 0.1142
Loa Loa (eye worm) hypothetical protein 0.0184 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0031 0.0752 0.0463
Trypanosoma cruzi polo-like protein kinase, putative 0.0086 0.4054 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0154 0.8137 1
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.4054 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0752 0.0696
Brugia malayi Bromodomain containing protein 0.0071 0.3147 0.2933
Schistosoma mansoni bromodomain containing protein 0.006 0.2482 0.6123
Giardia lamblia Kinase, PLK 0.0086 0.4054 0.5
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0086 0.4054 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.4054 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0056 0.2279 0.28
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0045 0.1614 0.1564
Schistosoma mansoni hypothetical protein 0.0019 0.006 0.0148
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0154 0.8137 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0086 0.4054 0.4018
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0086 0.4054 0.4982
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.4054 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0086 0.4054 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.1067 0.1013
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.4054 1
Schistosoma mansoni kinase 0.0044 0.1513 0.3734
Onchocerca volvulus Serine\/threonine kinase homolog 0.0086 0.4054 0.5
Brugia malayi serine/threonine-protein kinase plk-2 0.0086 0.4054 0.3868
Loa Loa (eye worm) hypothetical protein 0.0038 0.1202 0.1149

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.