Detailed information for compound 278803

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 264.275 | Formula: C17H12O3
  • H donors: 2 H acceptors: 3 LogP: 1.51 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@@H]1C#Cc2ccccc2C#CC2(C(=O)C1=CCC2)O
  • InChi: 1S/C17H12O3/c18-15-8-7-12-4-1-2-5-13(12)9-11-17(20)10-3-6-14(15)16(17)19/h1-2,4-6,15,18,20H,3,10H2/t15-,17?/m1/s1
  • InChiKey: RUQAJHOVVJUBGJ-LDCVWXEPSA-N  


Substructure search Similarity search

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
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0047 0.0005 0.0027
Loa Loa (eye worm) hypothetical protein 0.0169 0.244 1
Schistosoma mansoni hypothetical protein 0.0141 0.1883 1
Echinococcus granulosus jun protein 0.0173 0.2535 0.2535
Echinococcus multilocularis jun protein 0.0173 0.2535 0.2535
Echinococcus granulosus Ankyrin 0.0047 0.0005 0.0005
Brugia malayi hypothetical protein 0.0136 0.1788 0.7052
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0173 0.2535 0.2535
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0173 0.2535 0.2535
Schistosoma mansoni jun-related protein 0.0141 0.1883 1
Echinococcus multilocularis Ankyrin 0.0047 0.0005 0.0005
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0546 1 1
Onchocerca volvulus 0.0136 0.1788 0.5
Brugia malayi bZIP transcription factor family protein 0.0173 0.2535 1

Activities

Activity type Activity value Assay description Source Reference
Area (functional) = 0 mm**2 In vitro DNA cleaving activity which induce cell filamentation was evaluated by inducement of the SOS response at a dose of 1000 microg/ml. ChEMBL. No reference
Area (functional) = 0 mm**2 In vitro DNA cleaving activity which induce cell filamentation was evaluated by inducement of the SOS response at a dose of 200 microg/ml. ChEMBL. No reference
Area (functional) = 0 mm**2 In vitro DNA cleaving activity which induce cell filamentation was evaluated by inducement of the SOS response at a dose of 40 microg/ml. ChEMBL. No reference
DNA cleavage (functional) 0 In vitro ability of the compound to cleave DNA using supercoiled pM2 DNA with beta-mercaptoethanol at drug concentrations of 2E-5; Greater activity ChEMBL. No reference
DNA cleavage (functional) 0 In vitro ability of the compound to cleave DNA using supercoiled pM2 DNA without beta-mercaptoethanol at drug concentrations of 2E-5; Greater activity ChEMBL. No reference
IC50 (functional) = 0.0000018 M Inhibitory concentration was determined for cytotoxicity in HCT-116 human colon cancer cell line. ChEMBL. No reference
IC50 (functional) = 0.0000018 M Inhibitory concentration was determined for cytotoxicity in HCT-116 human colon cancer cell line. ChEMBL. No reference
T/C (functional) = 107 % In vivo relative median survival time of drug treated and control mice in murine Madison 109 (M109) lung carcinoma cells at 64 mg/kg/inj. ChEMBL. No reference
T/C (functional) = 107 % In vivo relative median survival time of drug treated and control mice in murine Madison 109 (M109) lung carcinoma cells at 64 mg/kg/inj. ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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