Detailed information for compound 1400183

Basic information

Technical information
  • TDR Targets ID: 1400183
  • Name: 1-[4-(benzoyl)phenyl]-3,3-dimethylazetidin-2- one
  • MW: 279.333 | Formula: C18H17NO2
  • H donors: 0 H acceptors: 2 LogP: 3.26 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1)c1ccc(cc1)N1CC(C1=O)(C)C
  • InChi: 1S/C18H17NO2/c1-18(2)12-19(17(18)21)15-10-8-14(9-11-15)16(20)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3
  • InChiKey: JIJVCZFJHJXPEL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[4-(benzoyl)phenyl]-3,3-dimethyl-azetidin-2-one
  • 3,3-dimethyl-1-[4-(oxo-phenylmethyl)phenyl]-2-azetidinone
  • 3,3-dimethyl-1-(4-phenylcarbonylphenyl)azetidin-2-one
  • 8L-723
  • Oprea1_324186
  • ZINC01401028
  • Bionet2_000741
  • 1-(4-benzoylphenyl)-3,3-dimethyl-2-azetanone
  • MLS000706873
  • SMR000334379

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei heat shock protein, putative 0.0166 0.0415 0.0113
Toxoplasma gondii DNA topoisomerase 2, putative 0.0166 0.0415 0.1047
Giardia lamblia Heat shock protein HSP 90-alpha 0.0166 0.0415 0.5
Plasmodium falciparum DNA topoisomerase 2 0.0166 0.0415 1
Leishmania major heat shock protein 83-1 0.0166 0.0415 0.0113
Trichomonas vaginalis mismatch repair protein Mlh1C (mutL homolog) 0.0166 0.0415 1
Trypanosoma brucei DNA topoisomerase ii 0.0166 0.0415 0.0113
Wolbachia endosymbiont of Brugia malayi signal transduction histidine kinase and receiver 0.0166 0.0415 0.5
Trichomonas vaginalis DNA topoisomerase II, putative 0.0166 0.0415 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0166 0.0415 0.5
Leishmania major heat shock protein 83-1 0.0166 0.0415 0.0113
Trichomonas vaginalis endoplasmin, putative 0.0166 0.0415 1
Echinococcus multilocularis heat shock protein 0.0166 0.0415 0.0378
Loa Loa (eye worm) heat shock protein 90 0.0166 0.0415 0.0378
Echinococcus granulosus dihydrofolate reductase 0.035 0.104 0.104
Leishmania major hypothetical protein, conserved 0.0166 0.0415 0.0113
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.1043 0.3399 0.3191
Trichomonas vaginalis sensor histidine kinase, putative 0.0166 0.0415 1
Plasmodium vivax DNA topoisomerase II, putative 0.0166 0.0415 1
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0166 0.0415 0.0113
Trypanosoma brucei heat shock protein, putative 0.0166 0.0415 0.0113
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.1043 0.3399 0.3191
Loa Loa (eye worm) hypothetical protein 0.0166 0.0415 0.0378
Trypanosoma brucei heat shock protein, putative 0.0166 0.0415 0.0113
Leishmania major heat shock protein 83-1 0.0166 0.0415 0.0113
Entamoeba histolytica heat shock protein 90, putative 0.0166 0.0415 0.5
Loa Loa (eye worm) acetyltransferase 0.015 0.036 0.0323
Leishmania major heat shock protein 83-1 0.0166 0.0415 0.0113
Plasmodium vivax hypothetical protein, conserved 0.0166 0.0415 1
Trypanosoma brucei Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0166 0.0415 0.0113
Trypanosoma cruzi heat shock protein 85, putative 0.0166 0.0415 0.0113
Plasmodium falciparum DNA gyrase subunit B 0.0166 0.0415 1
Chlamydia trachomatis dihydrofolate reductase 0.035 0.104 1
Schistosoma mansoni heat shock protein 0.0166 0.0415 0.0378
Leishmania major heat shock protein 83-1 0.0166 0.0415 0.0113
Leishmania major heat shock protein 83-1 0.0166 0.0415 0.0113
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0166 0.0415 0.5
Trypanosoma brucei heat shock protein, putative 0.0166 0.0415 0.0113
Echinococcus multilocularis heat shock protein 90 0.0166 0.0415 0.0378
Leishmania major heat shock protein 83-1 0.0166 0.0415 0.0113
Trypanosoma cruzi Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0166 0.0415 0.0113
Loa Loa (eye worm) dihydrofolate reductase 0.035 0.104 0.1006
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0166 0.0415 0.0113
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0166 0.0415 0.0415
Trypanosoma cruzi Heat shock protein 83, putative 0.0166 0.0415 0.0113
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0134 0.0305 0.7355
Trichomonas vaginalis heat shock protein, putative 0.0166 0.0415 1
Leishmania major heat shock protein 83-1 0.0166 0.0415 0.0113
Leishmania major heat shock protein 83-1 0.0166 0.0415 0.0113
Leishmania major heat shock protein 83-1 0.0166 0.0415 0.0113
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.035 0.104 1
Loa Loa (eye worm) hypothetical protein 0.0166 0.0415 0.0378
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0166 0.0415 0.1047
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0166 0.0415 0.0378
Entamoeba histolytica DNA topoisomerase II, putative 0.0166 0.0415 0.5
Loa Loa (eye worm) TOPoisomerase family member 0.0166 0.0415 0.0378
Brugia malayi Dihydrofolate reductase 0.035 0.104 0.1006
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0038 0.0038
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.1209 0.3963 1
Leishmania major mitochondrial DNA topoisomerase II 0.0166 0.0415 0.0113
Echinococcus granulosus heat shock protein 90 0.0166 0.0415 0.0415
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.035 0.104 1
Trypanosoma cruzi heat shock protein 85, putative 0.0166 0.0415 0.0113
Schistosoma mansoni DNA topoisomerase II 0.0166 0.0415 0.0378
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0166 0.0415 0.1047
Entamoeba histolytica heat shock protein 90, putative 0.0166 0.0415 0.5
Leishmania major heat shock protein 83-1 0.0166 0.0415 0.0113
Schistosoma mansoni endoplasmin 0.0166 0.0415 0.0378
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0166 0.0415 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.0145 0.0345 0.0345
Brugia malayi dihydrofolate reductase family protein 0.035 0.104 0.1006
Trypanosoma cruzi DNA topoisomerase II, putative 0.0166 0.0415 0.0113
Trypanosoma cruzi heat shock protein 90, putative 0.0166 0.0415 0.0113
Brugia malayi Endoplasmin precursor 0.0166 0.0415 0.0378
Schistosoma mansoni endoplasmin 0.0166 0.0415 0.0378
Brugia malayi acetyltransferase, GNAT family protein 0.015 0.036 0.0323
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0134 0.0305 0.077
Trichomonas vaginalis receptor histidine kinase, putative 0.0166 0.0415 1
Leishmania major heat shock protein 83-1 0.0166 0.0415 0.0113
Leishmania major heat shock protein 83-1 0.0166 0.0415 0.0113
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0166 0.0415 1
Wolbachia endosymbiont of Brugia malayi membrane associated signal transduction histidine kinase 0.0166 0.0415 0.5
Schistosoma mansoni pyruvate dehydrogenase 0.2817 0.9435 0.9433
Trypanosoma brucei heat shock protein, putative 0.0166 0.0415 0.0113
Toxoplasma gondii heat shock protein HSP90 0.0166 0.0415 0.1047
Plasmodium vivax DNA gyrase subunit B, putative 0.0166 0.0415 1
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0166 0.0415 0.5
Echinococcus granulosus heat shock protein 0.0166 0.0415 0.0415
Toxoplasma gondii heat shock protein 90, putative 0.0166 0.0415 0.1047
Trichomonas vaginalis receptor histidine kinase, putative 0.0166 0.0415 1
Leishmania major heat shock protein 83-1 0.0166 0.0415 0.0113
Treponema pallidum chemotaxis histidine kinase (cheA) 0.0166 0.0415 0.5
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0166 0.0415 0.0113
Trypanosoma brucei heat shock protein, putative 0.0166 0.0415 0.0113
Giardia lamblia Pms1-like protein 0.0166 0.0415 0.5
Brugia malayi Probable DNA topoisomerase II 0.0166 0.0415 0.0378
Brugia malayi heat shock protein 90 0.0166 0.0415 0.0378
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0166 0.0415 1
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0166 0.0415 0.5
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0166 0.0415 0.0113
Leishmania major heat shock protein 83-1 0.0166 0.0415 0.0113
Schistosoma mansoni dihydrofolate reductase 0.035 0.104 0.1006
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.1043 0.3399 0.3191
Plasmodium falciparum DNA topoisomerase VI, b subunit, putative 0.0166 0.0415 1
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.1043 0.3399 0.8575
Schistosoma mansoni heat shock protein 0.0166 0.0415 0.0378
Loa Loa (eye worm) endoplasmin 0.0166 0.0415 0.0378
Plasmodium vivax endoplasmin, putative 0.0166 0.0415 1
Trypanosoma cruzi DNA topoisomerase II, putative 0.0166 0.0415 0.0113
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.015 0.036 0.0323
Trichomonas vaginalis two component sensor and regulator histidine kinase bacteria, putative 0.0166 0.0415 1
Trypanosoma brucei heat shock protein, putative 0.0166 0.0415 0.0113
Trichomonas vaginalis sensory transduction histidine kinase, putative 0.0166 0.0415 1
Plasmodium falciparum endoplasmin, putative 0.0166 0.0415 1
Plasmodium falciparum heat shock protein 90 0.0166 0.0415 1
Trypanosoma brucei Heat shock protein 83, putative 0.0166 0.0415 0.0113
Leishmania major heat shock protein 83-1 0.0166 0.0415 0.0113
Echinococcus multilocularis dihydrofolate reductase 0.035 0.104 0.1006
Plasmodium vivax heat shock protein 86, putative 0.0166 0.0415 1
Schistosoma mansoni pyruvate dehydrogenase 0.2817 0.9435 0.9433
Trichomonas vaginalis heat shock protein, putative 0.0166 0.0415 1
Trypanosoma brucei heat shock protein 90, putative 0.0166 0.0415 0.0113
Leishmania major DNA topoisomerase ii 0.0166 0.0415 0.0113
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0038 0.0038
Trypanosoma brucei heat shock protein, putative 0.0166 0.0415 0.0113
Leishmania major heat shock protein 83-1 0.0166 0.0415 0.0113
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0166 0.0415 0.0378
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.035 0.104 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.015 0.036 0.0323
Trypanosoma brucei heat shock protein 90, putative 0.0166 0.0415 0.0113
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0166 0.0415 0.0378
Trypanosoma cruzi heat shock protein 90, putative 0.0166 0.0415 0.0113
Trypanosoma cruzi heat shock protein 85, putative 0.0166 0.0415 0.0113

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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