Detailed information for compound 1481771

Basic information

Technical information
  • TDR Targets ID: 1481771
  • Name: (S)-4-(3-Chloro-phenyl)-8,9-dihydroxy-4-aza-t ricyclo[5.2.1.0*2,6*]decane-3,5-dione
  • MW: 307.729 | Formula: C15H14ClNO4
  • H donors: 2 H acceptors: 4 LogP: 0.58 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC1[C@@H](O)C2CC1C1C2C(=O)N(C1=O)c1cccc(c1)Cl
  • InChi: 1S/C15H14ClNO4/c16-6-2-1-3-7(4-6)17-14(20)10-8-5-9(11(10)15(17)21)13(19)12(8)18/h1-4,8-13,18-19H,5H2/t8?,9?,10?,11?,12-,13?/m0/s1
  • InChiKey: JHVMYMCZPFIKFZ-IYBFBTBFSA-N  


Substructure search Similarity search

Network

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Synonyms

  • MLS000779968
  • SMR000420131

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 granulosus insulin growth factor 1 receptor beta 0.0219 0.1306 0.1256
Schistosoma mansoni vesicular amine transporter 0.0042 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0042 0.0058 0.0077
Echinococcus multilocularis cyclin dependent kinase 5 0.1099 0.7524 0.7509
Echinococcus granulosus epidermal growth factor receptor 0.0676 0.4539 0.4507
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.012 0.0062
Loa Loa (eye worm) TK/INSR protein kinase 0.0219 0.1306 0.1736
Entamoeba histolytica cell division protein kinase 2, putative 0.1099 0.7524 1
Onchocerca volvulus Tyrosine kinase homolog 0.0641 0.4287 1
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.1099 0.7524 1
Echinococcus multilocularis cyclin dependent kinase 6 0.0771 0.521 0.5182
Schistosoma mansoni microtubule-associated protein tau 0.1449 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.011 0.0147
Schistosoma mansoni serine/threonine protein kinase 0.0364 0.2333 0.2333
Brugia malayi serine/threonine kinase 12 0.0129 0.0676 0.0898
Trypanosoma cruzi cdc2-related kinase 3 0.1099 0.7524 1
Trypanosoma brucei cdc2-related kinase 3 0.1099 0.7524 1
Echinococcus multilocularis epidermal growth factor receptor 0.0676 0.4539 0.4507
Trypanosoma brucei cdc2-related kinase 1 0.1099 0.7524 1
Schistosoma mansoni protein kinase 0.0129 0.0676 0.0676
Echinococcus granulosus insulin receptor 0.0219 0.1306 0.1256
Brugia malayi cyclin-dependent kinase 7 homolog 0.0364 0.2333 0.3101
Schistosoma mansoni serine/threonine protein kinase 0.0771 0.521 0.521
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0129 0.0676 0.0622
Giardia lamblia Kinase, CMGC CDK 0.1099 0.7524 1
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0042 0.0058 0.0058
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0219 0.1306 0.1256
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.1099 0.7524 0.7509
Brugia malayi Immunoglobulin I-set domain containing protein 0.0042 0.0058 0.0077
Echinococcus granulosus neuroglian 0.0053 0.0133 0.0076
Brugia malayi Immunoglobulin I-set domain containing protein 0.0686 0.4605 0.612
Echinococcus multilocularis cyclin dependent kinase 7 0.0364 0.2333 0.2288
Schistosoma mansoni tyrosine kinase 0.0357 0.2287 0.2287
Echinococcus multilocularis insulin receptor 0.0219 0.1306 0.1256
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0042 0.0058 0.0058
Brugia malayi cell division control protein 2 homolog 0.1099 0.7524 1
Brugia malayi serine/threonine protein kinase 6 0.0129 0.0676 0.0898
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0043 0.0067 0.0089
Schistosoma mansoni tyrosine kinase 0.0219 0.1306 0.1306
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.012 0.0159
Trypanosoma cruzi cdc2-related kinase 3 0.1099 0.7524 1
Echinococcus granulosus cyclin dependent kinase 5 0.1099 0.7524 0.7509
Echinococcus multilocularis neuroglian 0.0053 0.0133 0.0076
Loa Loa (eye worm) hypothetical protein 0.0042 0.0058 0.0077
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0056 0.0154 0.0097
Entamoeba histolytica cell division protein kinase 2, putative 0.1099 0.7524 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.023 0.0306
Echinococcus multilocularis aurora kinase A 0.0129 0.0676 0.0622
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.012 0.0062
Schistosoma mansoni tyrosine kinase 0.0357 0.2287 0.2287
Echinococcus multilocularis cyclin dependent kinase 0.1099 0.7524 0.7509
Loa Loa (eye worm) hypothetical protein 0.0042 0.0058 0.0077
Loa Loa (eye worm) hypothetical protein 0.0049 0.011 0.0147
Brugia malayi serine/threonine-protein kinase 6 0.0129 0.0676 0.0898
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.1099 0.7524 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0058 0.0077
Brugia malayi Furin-like cysteine rich region family protein 0.0676 0.4539 0.6033
Echinococcus granulosus geminin 0.0168 0.0948 0.0895
Loa Loa (eye worm) AUR protein kinase 0.0129 0.0676 0.0898
Echinococcus granulosus cyclin dependent kinase 7 0.0364 0.2333 0.2288
Schistosoma mansoni nephrin 0.0053 0.0133 0.0133
Echinococcus granulosus twitchin 0.0071 0.0266 0.021
Loa Loa (eye worm) hypothetical protein 0.108 0.7391 0.9823
Trichomonas vaginalis CMGC family protein kinase 0.1099 0.7524 1
Loa Loa (eye worm) TK/EGFR protein kinase 0.0676 0.4539 0.6033
Echinococcus granulosus roundabout 2 0.0066 0.023 0.0173
Echinococcus granulosus cyclin dependent kinase 6 0.0771 0.521 0.5182
Brugia malayi Protein kinase domain containing protein 0.0219 0.1306 0.1736
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.012 0.012
Echinococcus granulosus aurora kinase A 0.0129 0.0676 0.0622
Brugia malayi Protein kinase domain containing protein 0.1099 0.7524 1
Schistosoma mansoni tyrosine kinase 0.0357 0.2287 0.2287
Echinococcus multilocularis 0.0208 0.1232 0.1181
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.012 0.0159
Schistosoma mansoni tyrosine kinase 0.0676 0.4539 0.4539
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0129 0.0676 0.0622
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.1099 0.7524 1
Echinococcus multilocularis cyclin dependent kinase 1 0.1099 0.7524 0.7509
Echinococcus multilocularis roundabout 2 0.0066 0.023 0.0173
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.1099 0.7524 1
Schistosoma mansoni tyrosine kinase 0.0219 0.1306 0.1306
Trichomonas vaginalis CMGC family protein kinase 0.1099 0.7524 1
Echinococcus multilocularis microtubule associated protein 2 0.1449 1 1
Plasmodium vivax protein kinase Crk2 0.1099 0.7524 1
Loa Loa (eye worm) CMGC/CDK/CDK7 protein kinase 0.0364 0.2333 0.3101
Loa Loa (eye worm) hypothetical protein 0.0042 0.0058 0.0077
Schistosoma mansoni hypothetical protein 0.0168 0.0948 0.0948
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.012 0.0062
Giardia lamblia Kinase, CMGC CDK 0.1099 0.7524 1
Echinococcus granulosus cyclin dependent kinase 0.1099 0.7524 0.7509
Loa Loa (eye worm) hypothetical protein 0.0042 0.0058 0.0077
Schistosoma mansoni tyrosine kinase 0.0365 0.2341 0.2341
Brugia malayi hypothetical protein 0.0042 0.0058 0.0077
Echinococcus multilocularis cyclin dependent kinase 1 0.1099 0.7524 0.7509
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.011 0.0147
Echinococcus granulosus cyclin dependent kinase 1 0.1099 0.7524 0.7509
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.1099 0.7524 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.012 0.0062
Trypanosoma cruzi cdc2-related kinase 1 0.1099 0.7524 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.012 0.012
Schistosoma mansoni tyrosine kinase 0.0365 0.2341 0.2341
Schistosoma mansoni serine/threonine protein kinase 0.1099 0.7524 0.7524
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0365 0.2341 0.2296
Schistosoma mansoni cell adhesion molecule 0.0056 0.0154 0.0154
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.011 0.0147
Loa Loa (eye worm) AUR protein kinase 0.0129 0.0676 0.0898
Schistosoma mansoni serine/threonine protein kinase 0.1099 0.7524 0.7524
Echinococcus multilocularis epidermal growth factor receptor 0.0365 0.2341 0.2296
Schistosoma mansoni serine/threonine protein kinase 0.0364 0.2333 0.2333
Schistosoma mansoni hypothetical protein 0.0168 0.0948 0.0948
Brugia malayi Fibronectin type III domain containing protein 0.0042 0.0058 0.0077
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0686 0.4605 0.612
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.1099 0.7524 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.023 0.0306
Echinococcus multilocularis geminin 0.0168 0.0948 0.0895
Echinococcus granulosus epidermal growth factor receptor 0.0365 0.2341 0.2296
Schistosoma mansoni serine/threonine protein kinase 0.0129 0.0676 0.0676
Plasmodium falciparum protein kinase 5 0.1099 0.7524 1
Trypanosoma cruzi cdc2-related kinase 1 0.1099 0.7524 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0154 0.0205
Loa Loa (eye worm) AUR protein kinase 0.0129 0.0676 0.0898
Trichomonas vaginalis CMGC family protein kinase 0.1099 0.7524 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.012 0.012

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference

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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