Detailed information for compound 47175

Basic information

Technical information
  • TDR Targets ID: 47175
  • Name: N-hydroxy-N-(7-iodo-9H-fluoren-2-yl)acetamide
  • MW: 365.166 | Formula: C15H12INO2
  • H donors: 1 H acceptors: 2 LogP: 3.07 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Ic1ccc2c(c1)Cc1c2ccc(c1)N(C(=O)C)O
  • InChi: 1S/C15H12INO2/c1-9(18)17(19)13-3-5-15-11(8-13)6-10-7-12(16)2-4-14(10)15/h2-5,7-8,19H,6H2,1H3
  • InChiKey: LTIZSYIWZCVHEB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-hydroxy-N-(7-iodo-9H-fluoren-2-yl)ethanamide
  • 70952-93-1
  • BRN 6413445
  • N-(7-Iodo-2-fluorenyl)acetohydroxamic acid
  • N-Hydroxy-7-iodo-N-2-acetylaminofluorene
  • ACETOHYDROXAMIC ACID, N-(7-IODO-2-FLUORENYL)-

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
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0945 0.3044 0.5
Mycobacterium leprae PROBABLE HYDROLASE 0.0945 0.3044 0.5
Onchocerca volvulus Matrix metalloproteinase homolog 0.172 0.5709 0.8638
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0925 0.2975 0.8258
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0094 0.0121 0.0179
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0945 0.3044 0.1354
Loa Loa (eye worm) matrixin family protein 0.2024 0.6754 1
Mycobacterium ulcerans hydrolase 0.0945 0.3044 0.5
Schistosoma mansoni hypothetical protein 0.11 0.3577 1
Loa Loa (eye worm) hypothetical protein 0.009 0.0108 0.016
Loa Loa (eye worm) hypothetical protein 0.0776 0.2463 0.3647
Brugia malayi Hemopexin family protein 0.11 0.3577 0.2596
Loa Loa (eye worm) hypothetical protein 0.0945 0.3044 0.4507
Loa Loa (eye worm) hypothetical protein 0.0776 0.2463 0.3647
Loa Loa (eye worm) matrixin family protein 0.172 0.5709 0.8453
Onchocerca volvulus Matrilysin homolog 0.1869 0.6221 1
Loa Loa (eye worm) hypothetical protein 0.0925 0.2975 0.4405
Brugia malayi Matrixin family protein 0.2024 0.6754 1
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0781 0.2481 0.6828
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.2969 1 1
Loa Loa (eye worm) matrix metalloproteinase 0.0776 0.2463 0.3647
Onchocerca volvulus 0.11 0.3577 0.2964

Activities

Activity type Activity value Assay description Source Reference
Kd (ADMET) = 0.4 uM Apparent dissociation (binding) rate constant of the compound was evaluated ChEMBL. 3965709
Ki (ADMET) = 0.07 min-1 Apparent inactivation rate constant of the compound was evaluated ChEMBL. 3965709
Log rate (ADMET) = 0.37 Observed log rate of methylthio adduct formation ChEMBL. 4045921
Rate (ADMET) = 2.4 nM Rate of methylthio adduct formation catalyzed by partially purified hamster hepatic enzyme per mg protein per 10 min ChEMBL. 4045921
Rate (ADMET) = 5.3 nM Activity measured as 4-aminoazobenzene (AAB) transacetylation rate with partially purified hamster hepatic enzyme ChEMBL. 3965709
Ratio (ADMET) = 2900 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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