Detailed information for compound 142963

Basic information

Technical information
  • TDR Targets ID: 142963
  • Name: 6-cyano-3-methoxy-2,2-dimethyl-N-phenylchrome ne-4-carboxamide
  • MW: 334.369 | Formula: C20H18N2O3
  • H donors: 1 H acceptors: 2 LogP: 2.81 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc2c(c1)C(=C(C(O2)(C)C)OC)C(=O)Nc1ccccc1
  • InChi: 1S/C20H18N2O3/c1-20(2)18(24-3)17(19(23)22-14-7-5-4-6-8-14)15-11-13(12-21)9-10-16(15)25-20/h4-11H,1-3H3,(H,22,23)
  • InChiKey: IVWUIFJEVADWMW-UHFFFAOYSA-N  

Network

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Synonyms

  • 6-cyano-3-methoxy-2,2-dimethyl-N-phenyl-chromene-4-carboxamide
  • 6-cyano-3-methoxy-2,2-dimethyl-N-phenyl-1-benzopyran-4-carboxamide
  • 6-cyano-3-methoxy-2,2-dimethyl-N-phenyl-4-chromenecarboxamide

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 conserved hypothetical protein 0.1487 0.5885 1
Leishmania major carbonic anhydrase-like protein 0.2479 1 1
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0231 0.0684 0.1835
Brugia malayi Putative carbonic anhydrase 5 precursor 0.2479 1 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.2479 1 0.5
Plasmodium falciparum carbonic anhydrase 0.1206 0.4721 0.5
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0069 0.0011 0.5
Toxoplasma gondii hypothetical protein 0.1206 0.4721 0.5
Loa Loa (eye worm) carbonic anhydrase 3 0.2479 1 1
Loa Loa (eye worm) hypothetical protein 0.2366 0.9531 0.9112
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.2479 1 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.2479 1 1
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0889 0.3408 0.9256
Mycobacterium ulcerans carbonic anhydrase 0.1421 0.5612 0.9536
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.0955 0.3681 1
Onchocerca volvulus Putative sulfate transporter 0.02 0.0555 1
Echinococcus multilocularis carbonic anhydrase II 0.2479 1 1
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1421 0.5612 1
Wolbachia endosymbiont of Brugia malayi 2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase 0.0069 0.0011 0.5
Mycobacterium ulcerans carbonic anhydrase 0.1487 0.5885 1
Echinococcus granulosus carbonic anhydrase II 0.2479 1 1
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0763 0.2889 0.7843
Mycobacterium leprae Probable transmembrane transport protein 0.0231 0.0684 0.1219
Trypanosoma brucei carbonic anhydrase-like protein 0.2479 1 0.5
Echinococcus granulosus carbonic anhydrase 0.1206 0.4721 0.4715
Echinococcus granulosus carbonic anhydrase 0.1206 0.4721 0.4715
Trichomonas vaginalis conserved hypothetical protein 0.1487 0.5885 1
Onchocerca volvulus 0.02 0.0555 1
Echinococcus granulosus carbonic anhydrase 0.1206 0.4721 0.4715
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.2479 1 1
Entamoeba histolytica carbonic anhydrase, putative 0.1421 0.5612 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.2479 1 0.5
Schistosoma mansoni carbonic anhydrase 0.1421 0.5612 0.1689

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 20 uM Inhibition of spontaneous tone in guinea pig tracheal spirals ChEMBL. 1875351
Intinsic activity (functional) 0 Intrinsic activity of the compound was evaluated by measuring inhibition of spontaneous tone in guinea pig tracheal spirals; ND = no data ChEMBL. 1875351

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

1 literature reference was collected for this gene.

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