Detailed information for compound 1594282

Basic information

Technical information
  • TDR Targets ID: 1594282
  • Name: 3-(2-dimethylaminopropyl)-1,3-benzoxazol-2-on e
  • MW: 220.268 | Formula: C12H16N2O2
  • H donors: 0 H acceptors: 1 LogP: 1.79 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(C(Cn1c(=O)oc2c1cccc2)C)C
  • InChi: 1S/C12H16N2O2/c1-9(13(2)3)8-14-10-6-4-5-7-11(10)16-12(14)15/h4-7,9H,8H2,1-3H3
  • InChiKey: OIULJRMKDMLGCS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • NCI60_032556
  • 3-(2-(Dimethylamino)propyl)-1,3-benzoxazol-2(3H)-one
  • AIDS-151163
  • AIDS151163
  • NSC690667

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 0.0182 0.4365 0.43
Echinococcus multilocularis cyclin dependent kinase 9 0.0062 0.0114 0.0115
Echinococcus multilocularis dual specificity 0.0185 0.4479 0.4531
Echinococcus granulosus Cell division cycle 2 protein kinase 0.0062 0.0114 0.0115
Entamoeba histolytica protein kinase, putative 0.0265 0.7274 1
Trichomonas vaginalis CMGC family protein kinase 0.0265 0.7274 1
Echinococcus granulosus serine:threonine protein kinase NLK 0.0062 0.0114 0.0115
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0265 0.7274 1
Echinococcus granulosus serine:threonine protein kinase haspin 0.0339 0.9886 1
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0118 0.2093 0.2026
Echinococcus multilocularis dual specificity 0.0265 0.7274 0.7358
Echinococcus granulosus serine:threonine protein kinase haspin 0.0339 0.9886 1
Echinococcus granulosus dual specificity 0.0265 0.7274 0.7358
Onchocerca volvulus 0.0118 0.2093 1
Loa Loa (eye worm) microfilarial chitinase 0.0072 0.0484 0.0375
Loa Loa (eye worm) hypothetical protein 0.0118 0.2093 0.2002
Brugia malayi Protein kinase domain containing protein 0.0185 0.4479 0.4467
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative 0.0265 0.7274 1
Echinococcus multilocularis Cell division cycle 2 protein kinase 0.0062 0.0114 0.0115
Loa Loa (eye worm) hypothetical protein 0.0063 0.0168 0.0055
Loa Loa (eye worm) haspin protein kinase 0.0339 0.9886 0.9885
Onchocerca volvulus Putative endochitinase 0.0083 0.087 0.2052
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0339 0.9886 1
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0118 0.2093 0.2118
Brugia malayi hypothetical protein 0.0339 0.9886 1
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0265 0.7274 1
Echinococcus granulosus dual specificity 0.0265 0.7274 0.7358
Loa Loa (eye worm) hypothetical protein 0.0182 0.4365 0.43
Schistosoma mansoni hypothetical protein 0.0339 0.9886 1
Trichomonas vaginalis CMGC family protein kinase 0.0265 0.7274 1
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0185 0.4479 0.6096
Onchocerca volvulus Putative endochitinase 0.0083 0.087 0.2052
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0339 0.9886 1
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0185 0.4479 0.6096
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0185 0.4479 0.6096
Entamoeba histolytica cell division protein kinase 2, putative 0.0062 0.0114 0.0157
Entamoeba histolytica hypothetical protein 0.0185 0.4479 0.6157
Loa Loa (eye worm) haspin protein kinase 0.0339 0.9886 0.9885
Trichomonas vaginalis CMGC family protein kinase 0.0265 0.7274 1
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.0265 0.7274 0.7243
Echinococcus multilocularis dual specificity 0.0265 0.7274 0.7358
Loa Loa (eye worm) cuticular endochitinase 0.0074 0.0554 0.0445
Loa Loa (eye worm) hypothetical protein 0.0118 0.2093 0.2002
Schistosoma mansoni protein kinase 0.0062 0.0114 0.0115
Echinococcus multilocularis dual specificity 0.0265 0.7274 0.7358
Plasmodium falciparum conserved protein, unknown function 0.0118 0.2093 1
Echinococcus granulosus cyclin dependent kinase 9 0.0062 0.0114 0.0115
Entamoeba histolytica protein kinase, putative 0.0185 0.4479 0.6157
Entamoeba histolytica protein kinase domain containing protein 0.0062 0.0114 0.0157
Echinococcus granulosus dual specificity 0.0265 0.7274 0.7358
Trichomonas vaginalis CMGC family protein kinase 0.0265 0.7274 1
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.0265 0.7274 0.7327
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0114 0.0115
Entamoeba histolytica chitinase, putative 0.0074 0.0554 0.0762
Onchocerca volvulus 0.0118 0.2093 1
Schistosoma mansoni serine/threonine protein kinase 0.0265 0.7274 0.7358
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0288 0.8087 1
Echinococcus multilocularis serine:threonine protein kinase NLK 0.0062 0.0114 0.0115
Schistosoma mansoni serine/threonine kinase 0.0062 0.0114 0.0115
Echinococcus granulosus serine:threonine protein kinase haspin 0.0339 0.9886 1
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0118 0.2093 0.2118
Entamoeba histolytica protein kinase, putative 0.0185 0.4479 0.6157
Brugia malayi endochitinase 0.0083 0.087 0.0774
Onchocerca volvulus Putative endochitinase 0.0083 0.087 0.2052
Leishmania major chitinase 0.0074 0.0554 0.0615
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0267 0.7372 1
Echinococcus granulosus dual specificity 0.0185 0.4479 0.4531
Entamoeba histolytica protein kinase domain containing protein 0.0265 0.7274 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0288 0.8087 1
Giardia lamblia Kinase, CMGC DYRK 0.0265 0.7274 1
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0185 0.4479 0.4415
Loa Loa (eye worm) chitinase I 0.0074 0.0554 0.0445
Brugia malayi Endochitinase 0.0083 0.087 0.0774
Entamoeba histolytica protein kinase domain containing protein 0.0185 0.4479 0.6157
Echinococcus granulosus mitogen activated protein kinase 15 0.0062 0.0114 0.0115
Trichomonas vaginalis CMGC family protein kinase 0.0265 0.7274 1
Trichomonas vaginalis CMGC family protein kinase 0.0265 0.7274 1
Leishmania major protein kinase, putative,dual-specificity protein kinase, putative 0.0265 0.7274 1
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0185 0.4479 0.6096
Schistosoma mansoni hypothetical protein 0.0118 0.2093 0.2118
Brugia malayi endochitinase 0.0074 0.0554 0.045
Brugia malayi GSG2 0.0339 0.9886 1
Schistosoma mansoni serine/threonine protein kinase 0.0185 0.4479 0.4531
Plasmodium vivax hypothetical protein, conserved 0.0118 0.2093 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 MDA-N Breast 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 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 HL-60(TB) Leukemia 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 DU-145 Prostate 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 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.

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