Detailed information for compound 1662627

Basic information

Technical information
  • TDR Targets ID: 1662627
  • Name: 5-chloro-2-hydroxy-N-[4-(trifluoromethyl)phen yl]benzamide
  • MW: 315.675 | Formula: C14H9ClF3NO2
  • H donors: 2 H acceptors: 2 LogP: 4.47 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)C(=O)Nc1ccc(cc1)C(F)(F)F)O
  • InChi: 1S/C14H9ClF3NO2/c15-9-3-6-12(20)11(7-9)13(21)19-10-4-1-8(2-5-10)14(16,17)18/h1-7,20H,(H,19,21)
  • InChiKey: QCRAHGZZLAXPCG-UHFFFAOYSA-N  

Network

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Synonyms

  • AIDS226036
  • Benzamide, 5-chloro-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-
  • AIDS-226036

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens transmembrane protease, serine 4 Starlite/ChEMBL References

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 glycogen phosphorylase GlgP 0.0884 0 0.5
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0884 0 0.5
Entamoeba histolytica glycogen phosphorylase, putative 0.2044 1 1
Echinococcus granulosus glycogen phosphorylase 0.2044 1 0.5
Echinococcus multilocularis glycogen phosphorylase 0.2044 1 0.5
Trichomonas vaginalis glycogen phosphorylase, putative 0.2044 1 0.5
Echinococcus granulosus glycogen phosphorylase 0.2044 1 0.5
Schistosoma mansoni glycogen phosphorylase 0.2044 1 1
Onchocerca volvulus Glycogen phosphorylase homolog 0.2044 1 0.5
Loa Loa (eye worm) glycogen phosphorylase 0.2044 1 0.5
Giardia lamblia Glycogen phosphorylase 0.2044 1 0.5
Echinococcus multilocularis Glycosyl transferase, family 35 0.2044 1 0.5
Entamoeba histolytica glycogen phosphorylase, putative 0.2044 1 1
Trichomonas vaginalis glycogen phosphorylase, putative 0.2044 1 0.5
Echinococcus multilocularis glycogen phosphorylase 0.2044 1 0.5
Schistosoma mansoni glycogen phosphorylase 0.2044 1 1
Chlamydia trachomatis glycogen phosphorylase 0.2044 1 0.5
Echinococcus granulosus Glycosyl transferase family 35 0.2044 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 7 % Inhibition of Wnt/beta-catenin in human HCT116 cells assessed as remaining cytosolic beta-catenin level at 2 uM after 18 hrs by Western blot analysis relative to control ChEMBL. 26272032
IC50 (binding) = 0.29 uM Inhibition of Wnt/beta-catenin in HEK293 cells assessed as inhibition of Wnt3A-stimulated TOPFlash activity after 8 hrs ChEMBL. 26272032
IC50 (ADMET) = 0.36 uM Cytotoxicity against human HepG2 cells assessed as reduction in cell viability after 24 hrs by MTS assay ChEMBL. 24953953
IC50 (ADMET) = 5.3 uM Cytostatic activity against human MONO-MAC-6 cells assessed as cell viability after 16 hrs by MTT assay ChEMBL. 26210507
IC50 (binding) = 16 uM Inhibition of N-terminal His6-tagged recombinant TMPRSS4 (unknown origin) fused with enterokinase cleavage sequence DYKDDDGDYKDDDDK expressed in Escherichia coli BL21 (DE3) using Z-Phe-Arg-7-amido-4-methylcoumarin hydrochloride as substrate by fluorometric analysis ChEMBL. 23414802
MIC (functional) = 1 uM Antimycobacterial activity against Mycobacterium tuberculosis H37Rv 331/88 assessed as complete growth inhibition after 14 days ChEMBL. 24953953
MIC (functional) = 1.6 uM Antimycobacterial activity against multidrug-resistance Mycobacterium tuberculosis A8 after 28 days by serial dilution method ChEMBL. 26210507
MIC (functional) = 1.6 uM Antitubercular activity against Mycobacterium tuberculosis H37Rv ATCC27294 assessed as complete cessation of growth ChEMBL. 23211970
MIC (functional) = 2 uM Antimycobacterial activity against Mycobacterium tuberculosis H37Rv 331/88 after 21 days by microdilution method ChEMBL. 25593095
MIC (functional) = 2 uM Antimycobacterial activity against Mycobacterium tuberculosis H37Rv 331/88 after 14 days by microdilution method ChEMBL. 25593095
MIC (functional) = 2 uM Antimycobacterial activity against Mycobacterium tuberculosis H37Rv 331/88 assessed as complete growth inhibition after 21 days ChEMBL. 24953953
MIC (functional) = 2 umol/L Antimycobacterial activity against Mycobacterium tuberculosis My 331/88 after 14 days by micromethod ChEMBL. 22907036

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 24953953

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

1 literature reference was collected for this gene.

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