Detailed information for compound 733120

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 336.813 | Formula: C17H21ClN2O3
  • H donors: 1 H acceptors: 3 LogP: 1.33 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)CCC(=O)N1CCCC(C1)C(=O)c1ccc(cc1C)Cl
  • InChi: 1S/C17H21ClN2O3/c1-11-9-13(18)4-5-14(11)17(23)12-3-2-8-20(10-12)16(22)7-6-15(19)21/h4-5,9,12H,2-3,6-8,10H2,1H3,(H2,19,21)
  • InChiKey: ZFJGPDLJWKVJKG-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
Loa Loa (eye worm) hypothetical protein 0.0073 0.9254 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.2658 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.4858 0.525
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.7332 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0034 0.2658 0.5
Loa Loa (eye worm) inositol-1 0.0038 0.333 0.3598
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0851 0.0739
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0851 0.0679
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.333 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.3186 0.4076
Brugia malayi Bromodomain containing protein 0.0039 0.3599 0.2673
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.4858 0.4115
Schistosoma mansoni inositol monophosphatase 0.0038 0.333 0.3931
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0851 0.0739
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.333 0.4282
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.4858 0.5936
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.333 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0518 0.0559
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.3186 0.4076
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.333 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.4858 0.6466
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.333 0.5
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.333 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.333 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.3611 0.3902
Brugia malayi Inositol-1 0.0038 0.333 0.2365
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.333 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.4858 0.6466
Loa Loa (eye worm) hypothetical protein 0.0042 0.4024 0.4348
Schistosoma mansoni bromodomain containing protein 0.0065 0.7956 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.4357 0.4709
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.333 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.7332 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.4858 0.5936
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.4858 0.5936
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.333 0.5
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.333 0.4282
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.4858 0.6466
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.333 0.5
Schistosoma mansoni hypothetical protein 0.0021 0.0518 0.0242
Schistosoma mansoni inositol monophosphatase 0.0038 0.333 0.3931
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.4858 0.6466
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.333 0.5

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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