Detailed information for compound 1632010

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 356.374 | Formula: C22H16N2O3
  • H donors: 1 H acceptors: 2 LogP: 3.7 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1oc(Cc2ccccc2)nc2ccccc2c(=O)[nH]c2c1cccc2
  • InChi: 1S/C22H16N2O3/c25-21-16-10-4-6-12-18(16)23-20(14-15-8-2-1-3-9-15)27-22(26)17-11-5-7-13-19(17)24-21/h1-13H,14H2,(H,24,25)/b23-20-
  • InChiKey: YXSMRSMZKUSATF-ATJXCDBQSA-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
Trichomonas vaginalis cyclins, putative 0.0043 0.0363 0.0822
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.0321 0.4417 0.4417
Trichomonas vaginalis cyclins, putative 0.0043 0.0363 0.0822
Brugia malayi Cyclin, N-terminal domain containing protein 0.0043 0.0363 0.0363
Loa Loa (eye worm) TTK protein kinase 0.0321 0.4417 0.4417
Giardia lamblia G2/mitotic-specific cyclin B 0.0043 0.0363 0.0822
Giardia lamblia Kinase, TTK 0.0321 0.4417 1
Trypanosoma cruzi cyclin 6, putative 0.0043 0.0363 0.5
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0703 1 1
Trichomonas vaginalis cyclin B, putative 0.0043 0.0363 0.0822
Schistosoma mansoni serine/threonine protein kinase 0.0703 1 1
Schistosoma mansoni cyclin B 0.0043 0.0363 0.0363
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0703 1 1
Plasmodium falciparum cyclin 0.0018 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.0104 0.0104
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0703 1 1
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0043 0.0363 0.5
Trypanosoma cruzi CYC2-like cyclin, putative 0.0043 0.0363 0.5
Trypanosoma cruzi cyclin, putative 0.0043 0.0363 0.5
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0703 1 1
Echinococcus multilocularis cyclin B 0.0043 0.0363 0.0363
Trichomonas vaginalis CAMK family protein kinase 0.0321 0.4417 1
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.0321 0.4417 0.4417
Trichomonas vaginalis cyclin B, putative 0.0043 0.0363 0.0822
Entamoeba histolytica cyclin, putative 0.0043 0.0363 1
Brugia malayi Protein kinase domain containing protein 0.0321 0.4417 0.4417
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0703 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0321 0.4417 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0363 0.0363
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.0321 0.4417 0.4417
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0703 1 1
Trichomonas vaginalis cyclin B, putative 0.0043 0.0363 0.0822
Trichomonas vaginalis cyclins, putative 0.0043 0.0363 0.0822
Trichomonas vaginalis cyclin A, putative 0.0043 0.0363 0.0822
Trichomonas vaginalis cyclins, putative 0.0029 0.0166 0.0376
Trypanosoma brucei mitotic cyclin 6 0.0043 0.0363 0.5
Trichomonas vaginalis cyclins, putative 0.0043 0.0363 0.0822
Loa Loa (eye worm) hypothetical protein 0.0043 0.0363 0.0363
Trichomonas vaginalis cyclin B, putative 0.0043 0.0363 0.0822
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0321 0.4417 0.4206
Leishmania major cyclin 0.0043 0.0363 0.5
Trypanosoma cruzi cyclin, putative 0.0043 0.0363 0.5
Brugia malayi Cyclin, N-terminal domain containing protein 0.0043 0.0363 0.0363
Echinococcus granulosus cyclin B 0.0043 0.0363 0.0363

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 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 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 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 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 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 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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