Detailed information for compound 1515564

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 401.883 | Formula: C22H24ClNO4
  • H donors: 0 H acceptors: 2 LogP: 3.81 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(Cc1ccccc1)CCOc1cc2oc(=O)cc(c2cc1C(=O)C)C.Cl
  • InChi: 1S/C22H23NO4.ClH/c1-15-11-22(25)27-21-13-20(19(16(2)24)12-18(15)21)26-10-9-23(3)14-17-7-5-4-6-8-17;/h4-8,11-13H,9-10,14H2,1-3H3;1H
  • InChiKey: GPEPZYWUXVCVQO-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
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.1613 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.2029 0.2029
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0053 0.1613 1
Echinococcus granulosus lamin 0.0028 0.0472 0.0472
Onchocerca volvulus 0.0084 0.305 0.8056
Schistosoma mansoni hypothetical protein 0.0084 0.305 0.305
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.4869 0.7015
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0472 0.068
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0472 0.0149
Schistosoma mansoni bromodomain containing protein 0.0066 0.2199 0.2199
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1613 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.1561 0.1807
Schistosoma mansoni intermediate filament proteins 0.0028 0.0472 0.0472
Loa Loa (eye worm) hypothetical protein 0.0028 0.0472 0.068
Echinococcus multilocularis lamin dm0 0.0028 0.0472 0.0472
Echinococcus multilocularis lysosomal alpha glucosidase 0.0169 0.694 0.694
Echinococcus multilocularis mitogen activated protein kinase 0.0053 0.1613 0.1613
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0261 0.0261
Schistosoma mansoni alpha-glucosidase 0.0145 0.5861 0.5861
Brugia malayi Glycosyl hydrolases family 31 protein 0.0169 0.694 1
Loa Loa (eye worm) doublecortin family protein 0.0084 0.305 0.4394
Schistosoma mansoni zinc finger protein 0.002 0.012 0.012
Echinococcus multilocularis RUN 0.0084 0.305 0.305
Loa Loa (eye worm) hypothetical protein 0.0052 0.1561 0.2248
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0261 0.0261
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0029 0.0042
Plasmodium falciparum LCCL domain-containing protein 0.0084 0.305 0.5
Echinococcus multilocularis neutral alpha glucosidase AB 0.0037 0.0909 0.0909
Echinococcus granulosus mitogen activated protein kinase 0.0053 0.1613 0.1613
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0169 0.694 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0472 0.068
Onchocerca volvulus 0.0084 0.305 0.8056
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0053 0.1613 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0084 0.305 0.305
Schistosoma mansoni alpha-glucosidase 0.0145 0.5861 0.5861
Echinococcus granulosus lamin dm0 0.0028 0.0472 0.0472
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.2029 0.2029
Echinococcus multilocularis lamin 0.0028 0.0472 0.0472
Echinococcus granulosus RUN 0.0084 0.305 0.305
Echinococcus granulosus mitogen activated protein kinase 3 0.0053 0.1613 0.1613
Schistosoma mansoni lipoxygenase 0.0084 0.305 0.305
Brugia malayi Doublecortin family protein 0.0084 0.305 0.4075
Schistosoma mansoni polycystin 1-related 0.0084 0.305 0.305
Loa Loa (eye worm) hypothetical protein 0.0084 0.305 0.4394
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0053 0.1613 1
Echinococcus multilocularis zinc finger protein 0.002 0.012 0.012
Echinococcus multilocularis Polycystic kidney disease protein 0.0084 0.305 0.305
Schistosoma mansoni lamin 0.0028 0.0472 0.0472
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0053 0.1613 1
Schistosoma mansoni hypothetical protein 0.0035 0.081 0.081
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.4869 0.7015
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.1613 1
Schistosoma mansoni alpha glucosidase 0.0037 0.0909 0.0909
Loa Loa (eye worm) hypothetical protein 0.004 0.1014 0.1461
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1613 1
Schistosoma mansoni rab6-interacting 0.0084 0.305 0.305
Plasmodium vivax multidomain scavenger receptor, putative 0.0084 0.305 0.5
Schistosoma mansoni hypothetical protein 0.0021 0.017 0.017
Brugia malayi Bromodomain containing protein 0.0078 0.2757 0.3629
Echinococcus granulosus intermediate filament protein 0.0028 0.0472 0.0472
Brugia malayi Bromodomain containing protein 0.004 0.1011 0.097
Onchocerca volvulus 0.0098 0.3672 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.1127 0.1624
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1613 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0053 0.1613 0.2324
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.1561 0.2248
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0909 0.5
Loa Loa (eye worm) hypothetical protein 0.0073 0.2553 0.3679
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0898 0.0898
Echinococcus granulosus neutral alpha glucosidase AB 0.0037 0.0909 0.0909
Brugia malayi hypothetical protein 0.0084 0.305 0.4075
Loa Loa (eye worm) hypothetical protein 0.0035 0.081 0.1167
Echinococcus multilocularis lipoxygenase domain containing protein 0.0084 0.305 0.305
Echinococcus multilocularis mitogen activated protein kinase 3 0.0053 0.1613 0.1613
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0909 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0169 0.694 0.694
Schistosoma mansoni loxhd1 0.0084 0.305 0.305
Brugia malayi Glycosyl hydrolases family 31 protein 0.0037 0.0909 0.0815
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0898 0.0898
Brugia malayi MH2 domain containing protein 0.0124 0.4869 0.6845
Brugia malayi hypothetical protein 0.0084 0.305 0.4075
Loa Loa (eye worm) hypothetical protein 0.0027 0.0448 0.0646
Echinococcus granulosus Polycystic kidney disease protein 0.0084 0.305 0.305
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0053 0.1613 1
Schistosoma mansoni rab6-interacting 0.0084 0.305 0.305
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0053 0.1613 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0037 0.0909 0.1309
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.017 0.0245
Echinococcus granulosus lipoxygenase domain containing protein 0.0084 0.305 0.305
Loa Loa (eye worm) hypothetical protein 0.0084 0.305 0.4394
Echinococcus multilocularis musashi 0.0028 0.0472 0.0472
Trypanosoma brucei protein kinase, putative 0.0053 0.1613 1
Brugia malayi MAP kinase sur-1 0.0053 0.1613 0.1887
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.1613 0.1613
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0261 0.0261
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.1561 0.1807
Giardia lamblia Kinase, CMGC MAPK 0.0053 0.1613 0.5
Schistosoma mansoni lamin 0.0028 0.0472 0.0472
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1613 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0169 0.694 0.694
Brugia malayi intermediate filament protein 0.0028 0.0472 0.0149
Echinococcus granulosus zinc finger protein 0.002 0.012 0.012
Echinococcus granulosus lipoxygenase domain containing protein 0.0084 0.305 0.305
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.081 0.0664
Loa Loa (eye worm) hypothetical protein 0.0044 0.1218 0.1755

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 24.3 umol/ml Antibacterial against Escherichia coli ATCC 8739 after 24 hrs by NCCLS M7-A6 method ChEMBL. 21439691
MIC (functional) = 24.3 umol/ml Antibacterial against Escherichia coli ATCC 10536 after 24 hrs by NCCLS M7-A6 method ChEMBL. 21439691

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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