Detailed information for compound 106067

Basic information

Technical information
  • TDR Targets ID: 106067
  • Name: N-(9H-carbazol-2-yl)acetamide
  • MW: 224.258 | Formula: C14H12N2O
  • H donors: 2 H acceptors: 1 LogP: 2.56 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccc2c(c1)[nH]c1c2cccc1
  • InChi: 1S/C14H12N2O/c1-9(17)15-10-6-7-12-11-4-2-3-5-13(11)16-14(12)8-10/h2-8,16H,1H3,(H,15,17)
  • InChiKey: QYMUFCDNSROFHA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(9H-carbazol-2-yl)ethanamide
  • 63020-20-2
  • 2-Acetylaminocarbazole
  • 4-22-00-04934 (Beilstein Handbook Reference)
  • Acetamide, N-9H-carbazol-2-yl-
  • BRN 0384208
  • CCRIS 6505
  • N-9H-Carbazol-2-ylacetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Monoamine oxidase A Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH Get druggable targets OG5_130722 All targets in OG5_130722
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH Get druggable targets OG5_130722 All targets in OG5_130722
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) Get druggable targets OG5_130722 All targets in OG5_130722
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi amine oxidase, flavin-containing family protein Monoamine oxidase A   526 aa 464 aa 21.6 %
Dictyostelium discoideum hypothetical protein Monoamine oxidase A   526 aa 518 aa 22.4 %
Dictyostelium discoideum hypothetical protein Monoamine oxidase A   526 aa 524 aa 22.9 %
Dictyostelium discoideum amine oxidase Monoamine oxidase A   526 aa 491 aa 31.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus ceramide glucosyltransferase 0.2634 0.9301 0.9183
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0576 0.1445 0.5
Echinococcus multilocularis non lysosomal glucosylceramidase 0.1843 0.6282 0.5655
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0576 0.1445 0.271
Trichomonas vaginalis glucosylceramidase, putative 0.0929 0.2792 0.5775
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.2634 0.9301 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.2817 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.1416 0.4651 1
Schistosoma mansoni alpha-glucosidase 0.2505 0.8808 0.947
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0576 0.1445 0.271
Schistosoma mansoni bile acid beta-glucosidase-related 0.1843 0.6282 0.6754
Schistosoma mansoni ceramide glucosyltransferase 0.2634 0.9301 1
Onchocerca volvulus Glucosylceramidase homolog 0.0929 0.2792 0.2807
Brugia malayi Glycosyl hydrolases family 31 protein 0.0576 0.1445 0.1223
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.1416 0.4651 0.4512
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0576 0.1445 0.1223
Trichomonas vaginalis glucosylceramidase, putative 0.1416 0.4651 1
Trypanosoma cruzi hypothetical protein, conserved 0.0576 0.1445 1
Echinococcus multilocularis bile acid beta glucosidase 0.1843 0.6282 0.5655
Trichomonas vaginalis glucosylceramidase, putative 0.1416 0.4651 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0359 0.0615 0.5
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0359 0.0615 0.5
Trichomonas vaginalis maltase-glucoamylase, putative 0.0576 0.1445 0.271
Schistosoma mansoni bile acid beta-glucosidase-related 0.1843 0.6282 0.6754
Trichomonas vaginalis glucosylceramidase, putative 0.1416 0.4651 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0576 0.1445 0.271
Echinococcus granulosus non lysosomal glucosylceramidase 0.1843 0.6282 0.5655
Loa Loa (eye worm) hypothetical protein 0.1244 0.3996 0.384
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0576 0.1445 1
Trichomonas vaginalis glucosylceramidase, putative 0.0979 0.2983 0.6209
Trichomonas vaginalis glucosylceramidase, putative 0.0929 0.2792 0.5775
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0576 0.1445 1
Trichomonas vaginalis glucosylceramidase, putative 0.0929 0.2792 0.5775
Echinococcus multilocularis ceramide glucosyltransferase 0.2634 0.9301 0.9183
Leishmania major alpha glucosidase II subunit, putative 0.0576 0.1445 1
Trichomonas vaginalis glucosylceramidase, putative 0.1416 0.4651 1
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0333 0.0519 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0576 0.1445 0.271
Trypanosoma brucei glucosidase, putative 0.0576 0.1445 1
Trichomonas vaginalis glucosylceramidase, putative 0.0929 0.2792 0.5775
Echinococcus granulosus bile acid beta glucosidase 0.1843 0.6282 0.5655
Trichomonas vaginalis glucosylceramidase, putative 0.0929 0.2792 0.5775
Schistosoma mansoni alpha-glucosidase 0.2505 0.8808 0.947
Trichomonas vaginalis alpha-glucosidase, putative 0.0576 0.1445 0.271
Trichomonas vaginalis alpha-glucosidase, putative 0.0576 0.1445 0.271
Trichomonas vaginalis glucosylceramidase, putative 0.0929 0.2792 0.5775
Brugia malayi Ceramide glucosyltransferase 0.2634 0.9301 0.9283
Trichomonas vaginalis glucosylceramidase, putative 0.1416 0.4651 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.2817 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0929 0.2792 0.5775
Trichomonas vaginalis sucrase-isomaltase, putative 0.0576 0.1445 0.271
Trypanosoma cruzi hypothetical protein, conserved 0.0576 0.1445 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.2817 1 1
Schistosoma mansoni alpha glucosidase 0.0576 0.1445 0.1553
Echinococcus granulosus lysosomal alpha glucosidase 0.2817 1 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.1416 0.4651 0.4512
Trichomonas vaginalis glucosylceramidase, putative 0.0979 0.2983 0.6209
Giardia lamblia Ceramide glucosyltransferase 0.1194 0.3804 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0576 0.1445 0.271
Loa Loa (eye worm) ceramide glucosyltransferase 0.2634 0.9301 0.9283
Onchocerca volvulus 0.1735 0.587 0.6208
Schistosoma mansoni ceramide glucosyltransferase 0.2634 0.9301 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.043 uM Inhibitory activity against monoamine oxidase A (MAO A) from rat brain using a radiometric procedure with [3H]- serotonin. ChEMBL. 8027990
IC50 (binding) = 0.043 uM Inhibitory activity against monoamine oxidase A (MAO A) from rat brain using a radiometric procedure with [3H]- serotonin. ChEMBL. 8027990
Inhibition (binding) = 38 % Inhibitory activity against monoamine oxidase B (MAO B) from rat brain using a radiometric procedure with [14C]- phenethylamine atb 10 microM ChEMBL. 8027990
Inhibition (binding) = 38 % Inhibitory activity against monoamine oxidase B (MAO B) from rat brain using a radiometric procedure with [14C]- phenethylamine atb 10 microM ChEMBL. 8027990
logP (ADMET) = 3.02 Partition coefficient (logP) ChEMBL. No reference
Revertants/plate (functional) = 456 Ames test averaged in revertants/plate with Salmonella typhimurium TA98 at 1.0 mg/plate ChEMBL. No reference
Revertants/plate (functional) = 468 Ames test averaged in revertants/plate with S. typhimurium TA98 at 0.50 mg/plate ChEMBL. No reference
Revertants/plate (functional) = 679 Ames test averaged in revertants/plate with S. typhimurium TA1538 at 0.13 mg/plate ChEMBL. No reference
Revertants/plate (functional) = 699 Ames test averaged in revertants/plate with S. typhimurium TA1538 at 0.50 mg/plate ChEMBL. No reference
Revertants/plate (functional) = 725 Ames test averaged in revertants/plate with S. typhimurium TA98 at 0.13 mg/plate ChEMBL. No reference
Revertants/plate (functional) = 732 Ames test averaged in revertants/plate with S. typhimurium TA98 at 0.25 mg/plate ChEMBL. No reference
Revertants/plate (functional) = 762 Ames test averaged in revertants/plate with S. typhimurium TA1538 at 0.25 mg/plate ChEMBL. No reference
Revertants/plate (functional) = 775 Ames test averaged in revertants/plate with S. typhimurium TA1538 at 1.0 mg/plate ChEMBL. No reference

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.