Detailed information for compound 1614801

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 194.187 | Formula: C9H10N2O3
  • H donors: 1 H acceptors: 2 LogP: 0.31 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C/c1ncccc1C1OCCO1
  • InChi: 1S/C9H10N2O3/c12-11-6-8-7(2-1-3-10-8)9-13-4-5-14-9/h1-3,6,9,12H,4-5H2/b11-6+
  • InChiKey: ABUPZXMWHMPKOA-IZZDOVSWSA-N  

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
Entamoeba histolytica PH domain containing protein kinase, putative 0.0673 0.6622 0.6622
Brugia malayi protein kinase C II. 0.0322 0.2866 0.2693
Giardia lamblia Kinase, AGC PKA 0.0625 0.6111 0.5
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0322 0.2866 0.2693
Brugia malayi Hr1 repeat family protein 0.0322 0.2866 0.2693
Trichomonas vaginalis AGC family protein kinase 0.0322 0.2866 0.2866
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0673 0.6622 1
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0625 0.6111 0.9227
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0315 0.2792 0.2792
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0625 0.6111 0.8638
Echinococcus multilocularis rac serine:threonine kinase 0.0673 0.6622 1
Loa Loa (eye worm) AGC/NDR protein kinase 0.0322 0.2866 0.2693
Trichomonas vaginalis AGC family protein kinase 0.0322 0.2866 0.2866
Schistosoma mansoni serine/threonine-protein kinase 0.0673 0.6622 1
Entamoeba histolytica protein kinase, putative 0.094 0.9488 0.9488
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0625 0.6111 1
Brugia malayi p70 ribosomal S6 kinase beta 0.094 0.9488 0.9476
Entamoeba histolytica PH domain containing protein kinase, putative 0.0673 0.6622 0.6622
Loa Loa (eye worm) hypothetical protein 0.0322 0.2866 0.2693
Echinococcus multilocularis nervana 2 0.0618 0.6036 0.844
Toxoplasma gondii AGC kinase 0.094 0.9488 1
Loa Loa (eye worm) AGC/PKN protein kinase 0.0322 0.2866 0.2693
Echinococcus multilocularis nervana 2 0.0618 0.6036 0.844
Entamoeba histolytica protein kinase, putative 0.0322 0.2866 0.2866
Schistosoma mansoni serine/threonine-protein kinase 0.0673 0.6622 1
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0322 0.2866 0.2693
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0322 0.2866 0.2693
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.094 0.9488 0.9476
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0618 0.6036 0.844
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0322 0.2866 0.2693
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0625 0.6111 1
Echinococcus multilocularis Glutaredoxin protein 5 0.0618 0.6036 0.844
Echinococcus granulosus nervana 2 0.0618 0.6036 0.844
Echinococcus granulosus Glutaredoxin protein 5 0.0618 0.6036 0.844
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0625 0.6111 0.8638
Brugia malayi Protein kinase domain containing protein 0.0322 0.2866 0.2693
Echinococcus granulosus serine/threonine protein kinase 0.0673 0.6622 1
Echinococcus granulosus serine threonine protein kinase nrc 0.0625 0.6111 0.8638
Brugia malayi Protein kinase domain containing protein 0.0322 0.2866 0.2693
Echinococcus granulosus nervana 2 0.0618 0.6036 0.844
Trichomonas vaginalis AGC family protein kinase 0.037 0.3378 0.3378
Trypanosoma cruzi Protein kinase B 0.0673 0.6622 1
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0618 0.6036 0.844
Entamoeba histolytica protein kinase 2, putative 0.0625 0.6111 0.6111
Trichomonas vaginalis AGC family protein kinase 0.0322 0.2866 0.2866

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 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 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

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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