Detailed information for compound 1629343

Basic information

Technical information
  • TDR Targets ID: 1629343
  • Name: 3-hydroxy-3-(1-oxo-1-phenylpropan-2-yl)-1H-in dol-2-one
  • MW: 281.306 | Formula: C17H15NO3
  • H donors: 2 H acceptors: 3 LogP: 2.48 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(C1(O)C(=O)Nc2c1cccc2)C)c1ccccc1
  • InChi: 1S/C17H15NO3/c1-11(15(19)12-7-3-2-4-8-12)17(21)13-9-5-6-10-14(13)18-16(17)20/h2-11,21H,1H3,(H,18,20)
  • InChiKey: MLPNSESWKUBXIN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-hydroxy-3-(1-methyl-2-oxo-2-phenyl-ethyl)indolin-2-one
  • 3-hydroxy-3-(1-methyl-2-oxo-2-phenylethyl)-2-indolinone
  • 3-hydroxy-3-(2-keto-1-methyl-2-phenyl-ethyl)oxindole
  • 3-hydroxy-3-(1-oxo-1-phenyl-propan-2-yl)-1H-indol-2-one
  • Oprea1_020663
  • 3-Hydroxy-3-(1-methyl-2-oxo-2-phenylethyl)-1,3-dihydro-2H-indol-2-one
  • Oprea1_266768
  • AIDS131141
  • NSC622330
  • NCI60_006502
  • STK094546
  • AIDS-131141
  • 3-Hydroxy-3-(1-methyl-2-oxo-2-phenyl-ethyl)-1,3-dihydro-indol-2-one
  • BAS 03084522

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 AGC family protein kinase 0.0807 0.3094 0.3094
Giardia lamblia Kinase, AGC PKA 0.1565 0.6338 0.5
Schistosoma mansoni serine/threonine-protein kinase 0.1632 0.6622 1
Trichomonas vaginalis AGC family protein kinase 0.0807 0.3094 0.3094
Entamoeba histolytica protein kinase 2, putative 0.1565 0.6338 0.6338
Trypanosoma brucei rac serine-threonine kinase, putative 0.2421 1 1
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.1565 0.6338 1
Echinococcus granulosus serine/threonine protein kinase 0.1632 0.6622 1
Entamoeba histolytica protein kinase, putative 0.2421 1 1
Toxoplasma gondii AGC kinase 0.2355 0.9716 1
Loa Loa (eye worm) AGC/AKT protein kinase 0.2421 1 1
Echinococcus multilocularis nervana 2 0.1548 0.6264 0.8984
Leishmania major protein kinase, putative 0.0084 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.2421 1 1
Leishmania major serine/threonine-protein kinase a, putative 0.0084 0 0.5
Entamoeba histolytica protein kinase, putative 0.2421 1 1
Trichomonas vaginalis AGC family protein kinase 0.2421 1 1
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.079 0.3019 0.3019
Echinococcus granulosus serine threonine protein kinase nrc 0.1565 0.6338 0.9195
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.0084 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.2421 1 1
Leishmania major protein kinase, putative 0.0084 0 0.5
Brugia malayi p70 ribosomal S6 kinase beta 0.2355 0.9716 0.9589
Entamoeba histolytica PH domain containing protein kinase, putative 0.1632 0.6622 0.6622
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.1548 0.6264 0.8984
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.1565 0.6338 1
Echinococcus granulosus nervana 2 0.1548 0.6264 0.8984
Trichomonas vaginalis AGC family protein kinase 0.2421 1 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.1632 0.6622 0.6622
Echinococcus granulosus nervana 2 0.1548 0.6264 0.8984
Echinococcus multilocularis Glutaredoxin protein 5 0.1548 0.6264 0.8984
Entamoeba histolytica protein kinase, putative 0.2355 0.9716 0.9716
Trichomonas vaginalis AGC family protein kinase 0.0807 0.3094 0.3094
Trypanosoma cruzi rac serine-threonine kinase, putative 0.1565 0.6338 0.9571
Trypanosoma cruzi rac serine-threonine kinase, putative 0.1632 0.6622 1
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.1565 0.6338 0.9195
Leishmania major protein kinase, putative,serine/threonine protein kinase, putative 0.0084 0 0.5
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.1565 0.6338 0.9195
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.083 0.5
Entamoeba histolytica protein kinase, putative 0.0807 0.3094 0.3094
Leishmania major folate/biopterin transporter, putative 0.0084 0 0.5
Schistosoma mansoni serine/threonine-protein kinase 0.1632 0.6622 1
Trichomonas vaginalis AGC family protein kinase 0.0873 0.3378 0.3378
Echinococcus multilocularis rac serine:threonine kinase 0.1632 0.6622 1
Echinococcus multilocularis nervana 2 0.1548 0.6264 0.8984
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.2355 0.9716 0.9589
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.1548 0.6264 0.8984
Trichomonas vaginalis AGC family protein kinase 0.2421 1 1
Echinococcus granulosus Glutaredoxin protein 5 0.1548 0.6264 0.8984
Trichomonas vaginalis AGC family protein kinase 0.2421 1 1
Trichomonas vaginalis AGC family protein kinase 0.2421 1 1
Trypanosoma cruzi Protein kinase B 0.1632 0.6622 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.