Detailed information for compound 1614250

Basic information

Technical information
  • TDR Targets ID: 1614250
  • Name: NCI60_019002
  • MW: 283.279 | Formula: C16H13NO4
  • H donors: 0 H acceptors: 2 LogP: 1.69 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CC2C3N1C(=O)c1c([C@@H]3C=CC2)cc2c(c1)OCO2
  • InChi: 1S/C16H13NO4/c18-14-4-8-2-1-3-9-10-5-12-13(21-7-20-12)6-11(10)16(19)17(14)15(8)9/h1,3,5-6,8-9,15H,2,4,7H2/t8?,9-,15?/m0/s1
  • InChiKey: FKKBAODXESJEFJ-WWNCPBBQSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • NSC654972

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
Schistosoma mansoni RAR-like nuclear receptor 0.0031 0.0019 0.004
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0031 0.0019 0.004
Brugia malayi nuclear receptor NHR-88 0.0031 0.0019 0.0019
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0031 0.0019 0.004
Brugia malayi Nuclear hormone receptor-like 1 0.0031 0.0019 0.0019
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0031 0.0019 0.0065
Schistosoma mansoni deleted in oral cancer 1/cdk2-associated protein-like 0.0348 0.2877 0.6112
Loa Loa (eye worm) hypothetical protein 0.0031 0.0019 0.004
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0019 0.0065
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0031 0.0019 0.004
Onchocerca volvulus Diphthamide biosynthesis protein 7 homolog 0.0348 0.2877 1
Brugia malayi ecdysteroid receptor 0.0031 0.0019 0.0019
Schistosoma mansoni jumonji domain containing protein 0.0075 0.0414 0.088
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0019 0.0065
Brugia malayi Protein kinase domain containing protein 0.0551 0.4707 0.4707
Loa Loa (eye worm) hypothetical protein 0.0031 0.0019 0.004
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0031 0.0019 0.004
Loa Loa (eye worm) steroid hormone receptor 0.0031 0.0019 0.004
Brugia malayi Steroid receptor seven-up type 2 0.0031 0.0019 0.0019
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0031 0.0019 0.004
Schistosoma mansoni nuclear hormone receptor 0.0031 0.0019 0.004
Echinococcus granulosus ecdysone induced protein 78C 0.0031 0.0019 0.0065
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0019 0.0019
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0019 0.0065
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0031 0.0019 0.0065
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0031 0.0019 0.004
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0019 0.0019
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0031 0.0019 0.004
Onchocerca volvulus Protein ultraspiracle homolog 0.0031 0.0019 0.0065
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0019 0.0019
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0054 0.0116
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0031 0.0019 0.0065
Brugia malayi steroid hormone receptor 0.0031 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0034 0.0044 0.0093
Schistosoma mansoni coup transcription factor 0.0031 0.0019 0.004
Echinococcus multilocularis ecdysone induced protein 78C 0.0031 0.0019 0.0065
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0054 0.0189
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0031 0.0019 0.0065
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0054 0.0116
Echinococcus granulosus FTZ F1 alpha 0.0031 0.0019 0.0065
Echinococcus multilocularis Cyclin dependent kinase 2 associated protein 0.0348 0.2877 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0094 0.0588 0.2044
Onchocerca volvulus 0.0031 0.0019 0.0065
Schistosoma mansoni retinoic acid receptor RXR 0.0031 0.0019 0.004
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0031 0.0019 0.0065
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0031 0.0019 0.004
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0031 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0031 0.0019 0.004
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0031 0.0019 0.004
Onchocerca volvulus Bile acid receptor homolog 0.0031 0.0019 0.0065
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0031 0.0019 0.0065
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0031 0.0019 0.0065
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0031 0.0019 0.004
Loa Loa (eye worm) hypothetical protein 0.0031 0.0019 0.004
Loa Loa (eye worm) hypothetical protein 0.0031 0.0019 0.004
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0184 0.0184
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0101 0.0352
Loa Loa (eye worm) hypothetical protein 0.0348 0.2877 0.6112
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0031 0.0019 0.0065
Brugia malayi jmjC domain containing protein 0.0035 0.0054 0.0054
Schistosoma mansoni thyroid hormone receptor 0.0031 0.0019 0.004
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0031 0.0019 0.0019
Schistosoma mansoni thyroid hormone receptor 0.0031 0.0019 0.004
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0044 0.0044
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0031 0.0019 0.0019
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0031 0.0019 0.0019
Schistosoma mansoni hypothetical protein 0.0034 0.0044 0.0093
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0551 0.4707 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0094 0.0588 0.2044
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0031 0.0019 0.0019
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0031 0.0019 0.004
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0031 0.0019 0.004
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0275 0.0585
Echinococcus multilocularis FTZ F1 alpha 0.0031 0.0019 0.0065
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0031 0.0019 0.0019
Brugia malayi nuclear hormone receptor 0.0031 0.0019 0.0019
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0019 0.0019
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0054 0.0189
Loa Loa (eye worm) hypothetical protein 0.0049 0.0185 0.0392
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0184 0.039
Schistosoma mansoni serine/threonine protein kinase 0.0551 0.4707 1
Echinococcus granulosus Cyclin dependent kinase 2 associated protein 0.0348 0.2877 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0031 0.0019 0.004
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0054 0.0116
Loa Loa (eye worm) hypothetical protein 0.0049 0.0184 0.039
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0031 0.0019 0.004
Loa Loa (eye worm) hypothetical protein 0.0031 0.0019 0.004
Echinococcus granulosus jumonji domain containing protein 0.004 0.0101 0.0352
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0019 0.0065
Schistosoma mansoni steroid hormone receptor ad4bp 0.0031 0.0019 0.004
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0031 0.0019 0.0065
Echinococcus multilocularis thyroid hormone receptor alpha 0.0031 0.0019 0.0065
Brugia malayi photoreceptor-specific nuclear receptor 0.0031 0.0019 0.0019
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0031 0.0019 0.0065
Brugia malayi jmjC domain containing protein 0.0094 0.0588 0.0588
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0184 0.0184
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0031 0.0019 0.004
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0031 0.0019 0.0019

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.301 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) -4.301 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) -4.301 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) -4.301 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) -4.301 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) -4.301 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) -4.301 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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