Detailed information for compound 46015

Basic information

Technical information
  • TDR Targets ID: 46015
  • Name: N-(7-cyano-9H-fluoren-2-yl)-N-hydroxyacetamid e
  • MW: 264.279 | Formula: C16H12N2O2
  • H donors: 1 H acceptors: 3 LogP: 2.14 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc2c(c1)Cc1c2ccc(c1)N(C(=O)C)O
  • InChi: 1S/C16H12N2O2/c1-10(19)18(20)14-3-5-16-13(8-14)7-12-6-11(9-17)2-4-15(12)16/h2-6,8,20H,7H2,1H3
  • InChiKey: PDWMXZYJYMCFMJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(7-cyano-9H-fluoren-2-yl)-N-hydroxy-acetamide
  • N-(7-cyano-9H-fluoren-2-yl)-N-hydroxy-ethanamide
  • 92901-06-9

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
Brugia malayi nuclear receptor NHR-88 0.0021 0.0013 0.0018
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0013 0.0125
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0013 0.0018
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0013 0.0046
Schistosoma mansoni thyroid hormone receptor 0.015 0.1061 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0013 0.0046
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0013 0.0046
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0013 0.0046
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0013 0.0125
Loa Loa (eye worm) hypothetical protein 0.0021 0.0013 0.0069
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0013 0.0018
Echinococcus multilocularis thyroid hormone receptor alpha 0.015 0.1061 0.3708
Loa Loa (eye worm) hypothetical protein 0.0021 0.0013 0.0069
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0013 0.0046
Entamoeba histolytica proliferating cell nuclear antigen, putative 0.0031 0.0099 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0013 0.0069
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0013 0.0046
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0013 0.0125
Echinococcus granulosus proliferating cell nuclear antigen 0.0031 0.0099 0.0345
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0013 0.0069
Plasmodium falciparum telomerase reverse transcriptase 0.0343 0.2619 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0013 0.0069
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0013 0.0018
Brugia malayi Nuclear hormone receptor-like 1 0.0256 0.1918 0.2655
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0013 0.0018
Echinococcus granulosus nmda type glutamate receptor 0.0026 0.0059 0.0206
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.013 0.0893 0.312
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0013 0.0046
Brugia malayi Telomerase reverse transcriptase 0.0913 0.7226 1
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0013 0.0046
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0013 0.0018
Schistosoma mansoni proliferating cell nuclear antigen 0.0031 0.0099 0.0932
Giardia lamblia Telomerase catalytic subunit 0.0343 0.2619 1
Echinococcus granulosus expressed protein 0.0373 0.2862 1
Plasmodium vivax telomerase reverse transcriptase, putative 0.0343 0.2619 1
Leishmania major telomerase reverse transcriptase, putative 0.0343 0.2619 1
Echinococcus multilocularis expressed protein 0.0373 0.2862 1
Toxoplasma gondii RNA-directed DNA polymerase 0.0343 0.2619 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0013 0.0069
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0013 0.0125
Trichomonas vaginalis proliferating cell nuclear antigen, putative 0.0031 0.0099 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0013 0.0069
Loa Loa (eye worm) hypothetical protein 0.0021 0.0013 0.0069
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0343 0.2619 1
Schistosoma mansoni hypothetical protein 0.013 0.0893 0.8415
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0343 0.2619 1
Schistosoma mansoni coup transcription factor 0.0021 0.0013 0.0125
Echinococcus multilocularis proliferating cell nuclear antigen 0.0031 0.0099 0.0345
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0013 0.0046
Schistosoma mansoni thyroid hormone receptor 0.015 0.1061 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0013 0.0069
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0013 0.0046
Loa Loa (eye worm) hypothetical protein 0.0255 0.1909 0.995
Schistosoma mansoni proliferating cell nuclear antigen 0.0031 0.0099 0.0932
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0013 0.0018
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0013 0.0125
Loa Loa (eye worm) hypothetical protein 0.0021 0.0013 0.0069
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0013 0.0069
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0013 0.0125
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0256 0.1918 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0013 0.0046
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0026 0.0059 0.0206
Trypanosoma brucei telomerase reverse transcriptase 0.0343 0.2619 1
Brugia malayi proliferating cell nuclear antigen (PCNA) 0.0031 0.0099 0.0137
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0013 0.0018
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0013 0.0018
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0013 0.0046
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0013 0.0046
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0013 0.0046
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0013 0.0125
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0013 0.0046
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0013 0.0069
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0013 0.0069
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0013 0.0018
Loa Loa (eye worm) proliferating cell nuclear antigen 0.0031 0.0099 0.0515
Loa Loa (eye worm) hypothetical protein 0.0021 0.0013 0.0069
Trichomonas vaginalis proliferating cell nuclear antigen, putative 0.0031 0.0099 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0013 0.0018
Echinococcus multilocularis nmda type glutamate receptor 0.0026 0.0059 0.0206
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0013 0.0125
Brugia malayi Nuclear hormone receptor-like 1 0.0266 0.1998 0.2765
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0013 0.0018
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.013 0.0893 0.312
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0013 0.0046
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0013 0.0018
Brugia malayi steroid hormone receptor 0.0021 0.0013 0.0018
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0013 0.0018
Brugia malayi ecdysteroid receptor 0.0021 0.0013 0.0018
Brugia malayi nuclear hormone receptor 0.0021 0.0013 0.0018
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0013 0.0125
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0013 0.0046
Brugia malayi Nuclear hormone receptor-like 1 0.0256 0.1918 0.2655
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0013 0.0069
Loa Loa (eye worm) hypothetical protein 0.0021 0.0013 0.0069
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0013 0.0125
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0013 0.0018
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0013 0.0018

Activities

Activity type Activity value Assay description Source Reference
Kd (ADMET) = 40 uM Apparent dissociation (binding) rate constant of the compound was evaluated ChEMBL. 3965709
Ki (ADMET) = 0.09 min-1 Apparent inactivation rate constant of the compound was evaluated ChEMBL. 3965709
Log rate (ADMET) = 1.4 Observed log rate of methylthio adduct formation ChEMBL. 4045921
Protection (functional) = 2.9 % Percent protection from inactivation of AHAT was determined using t-RNA ChEMBL. 3965709
Protection (functional) = 5.9 % Percent protection from inactivation of AHAT was determined using guanosine phosphate ChEMBL. 3965709
Protection (functional) = 8 % Percent protection from inactivation of AHAT was determined using L-methionine ChEMBL. 3965709
Protection (functional) = 30.5 % Percent protection from inactivation of AHAT was determined using glutathione ChEMBL. 3965709
Protection (functional) = 35.9 % Percent protection from inactivation of AHAT was determined using L-cysteine ChEMBL. 3965709
Rate (ADMET) = 16.5 nM Activity measured as 4-aminoazobenzene (AAB) transacetylation rate with partially purified hamster hepatic enzyme ChEMBL. 3965709
Rate (ADMET) = 24.9 nM Rate of methylthio adduct formation catalyzed by partially purified hamster hepatic enzyme per mg protein per 10 min ChEMBL. 4045921
Ratio (ADMET) = 37.5 M-1 s-1 Ratio of apparent inactivation rate constant to apparent dissociation (binding) rate constant was determined ChEMBL. 3965709

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

2 literature references were collected for this gene.

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