Detailed information for compound 726566

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 416.486 | Formula: C23H29FN2O4
  • H donors: 1 H acceptors: 2 LogP: 2.73 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCC1CN(CCN1Cc1ccc(cc1F)OC)Cc1ccc(cc1)C(=O)OC
  • InChi: 1S/C23H29FN2O4/c1-29-21-8-7-19(22(24)13-21)15-26-11-10-25(16-20(26)9-12-27)14-17-3-5-18(6-4-17)23(28)30-2/h3-8,13,20,27H,9-12,14-16H2,1-2H3
  • InChiKey: YPCUGQJLBKSGCM-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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0648 0.8848 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0648 0.8848 0.5
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0009 0.0032
Loa Loa (eye worm) aminopeptidase in chromosome V 0.0047 0.0392 0.1309
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0085 0.0284
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0648 0.8848 0.5
Schistosoma mansoni zinc finger protein 0.0022 0.0039 0.013
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0648 0.8848 0.5
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0317 0.4187 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.083 0.2774
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0085 0.0281
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0139 0.1684 0.5565
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0085 0.0085
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0047 0.0392 0.0916
Brugia malayi Aminopeptidase ZK353.6 in chromosome III 0.0047 0.0392 0.2431
Schistosoma mansoni bromodomain containing protein 0.007 0.0715 0.239
Schistosoma mansoni hypothetical protein 0.0139 0.1684 0.5627
Wolbachia endosymbiont of Brugia malayi leucyl aminopeptidase 0.0234 0.3026 0.5
Echinococcus multilocularis zinc finger protein 0.0022 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0047 0.0396 0.1323
Plasmodium falciparum M17 leucyl aminopeptidase 0.0234 0.3026 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.0292 0.0965
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0043 0.0336 0.1121
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0047 0.0392 0.0916
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0648 0.8848 0.5
Brugia malayi Bromodomain containing protein 0.0083 0.0897 0.697
Toxoplasma gondii leucyl aminopeptidase LAP 0.0234 0.3026 1
Echinococcus multilocularis leucine aminopeptidase protein 0.0234 0.3026 0.3026
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0232 0.2993 1
Schistosoma mansoni hypothetical protein 0.0153 0.1881 0.6284
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0232 0.2993 1
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0232 0.2993 0.2993
Echinococcus granulosus zinc finger protein 0.0022 0.0039 0.0129
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0648 0.8848 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0043 0.0336 0.0336
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0047 0.0392 0.0916
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0139 0.1684 0.1684
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0648 0.8848 0.5
Schistosoma mansoni hypothetical protein 0.0023 0.0055 0.0185
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0047 0.0392 0.0916
Trypanosoma cruzi cytosolic leucyl aminopeptidase, putative 0.0234 0.3026 1
Brugia malayi hypothetical protein 0.0028 0.0126 0.0041
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0234 0.3026 1
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17, putative 0.0234 0.3026 1
Echinococcus granulosus leucyl aminopeptidase 0.0047 0.0392 0.1295
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0648 0.8848 0.5
Echinococcus granulosus leucine aminopeptidase protein 0.0234 0.3026 1
Brugia malayi cytosol aminopeptidase 0.0047 0.0392 0.2431
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0043 0.0336 0.1925
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0043 0.0336 0.0336
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0043 0.0336 0.1109
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0648 0.8848 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.015 0.184 0.184
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0043 0.0336 0.1121
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0043 0.0336 0.1121
Echinococcus granulosus geminin 0.0153 0.1881 0.6215
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0043 0.0336 0.1109
Chlamydia trachomatis cytosol aminopeptidase 0.0234 0.3026 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.033 0.1102
Schistosoma mansoni hypothetical protein 0.0153 0.1881 0.6284
Brugia malayi Aminopeptidase W07G4.4 in chromosome V 0.0047 0.0392 0.2431
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0648 0.8848 0.5
Schistosoma mansoni thyroid hormone receptor 0.015 0.184 0.6149
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.0047 0.0392 0.0916
Echinococcus granulosus leucyl aminopeptidase 0.0047 0.0392 0.1295
Schistosoma mansoni PwLAP aminopeptidase (M17 family) 0.0047 0.0392 0.1309
Echinococcus multilocularis leucyl aminopeptidase 0.0047 0.0392 0.0392
Treponema pallidum fructose-bisphosphate aldolase 0.0648 0.8848 0.5
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0047 0.0392 0.2431
Echinococcus multilocularis leucyl aminopeptidase 0.0047 0.0392 0.0392
Loa Loa (eye worm) hypothetical protein 0.0045 0.0366 0.1224
Plasmodium vivax M17 leucyl aminopeptidase, putative 0.0234 0.3026 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0066 0.066 0.066
Brugia malayi hypothetical protein 0.0107 0.1233 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.0292 0.0292
Schistosoma mansoni leucine aminopeptidase 0.0047 0.0392 0.1309
Giardia lamblia Fructose-bisphosphate aldolase 0.0648 0.8848 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0055 0.0185
Echinococcus granulosus ankyrin repeat domain containing protein 17 0.0047 0.0392 0.1295
Brugia malayi Bromodomain containing protein 0.0042 0.0329 0.1863
Echinococcus granulosus leukotriene A 4 hydrolase 0.0232 0.2993 0.989
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.0047 0.0392 0.0916
Loa Loa (eye worm) hypothetical protein 0.0028 0.0126 0.0421
Leishmania major cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 0.0234 0.3026 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0317 0.4187 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0066 0.066 0.218
Trypanosoma brucei aminopeptidase, putative 0.0047 0.0392 0.0916
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0047 0.0392 0.0916
Loa Loa (eye worm) aminopeptidase in chromosome III 0.0047 0.0392 0.1309
Echinococcus multilocularis leucyl aminopeptidase 0.0047 0.0392 0.0392
Schistosoma mansoni thyroid hormone receptor 0.015 0.184 0.6149
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0043 0.0336 0.1121
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0317 0.4187 1
Echinococcus multilocularis geminin 0.0153 0.1881 0.1881

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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