Detailed information for compound 1390930

Basic information

Technical information
  • TDR Targets ID: 1390930
  • Name: N-(6-acetamido-2-amino-1,3-benzothiazol-4-yl) acetamide hydrochloride
  • MW: 300.765 | Formula: C11H13ClN4O2S
  • H donors: 3 H acceptors: 3 LogP: 1.19 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1cc(NC(=O)C)c2c(c1)sc(n2)N.Cl
  • InChi: 1S/C11H12N4O2S.ClH/c1-5(16)13-7-3-8(14-6(2)17)10-9(4-7)18-11(12)15-10;/h3-4H,1-2H3,(H2,12,15)(H,13,16)(H,14,17);1H
  • InChiKey: DWNNYYKPDKGROZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(6-acetamido-2-amino-1,3-benzothiazol-4-yl)ethanamide hydrochloride
  • N-[4-(acetylamino)-2-amino-1,3-benzothiazol-6-yl]acetamide
  • SMR000033762
  • MLS000047755

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
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
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0391 1 1
Trichomonas vaginalis conserved hypothetical protein 0.004 0.013 0.013
Echinococcus granulosus chromobox protein 1 0.0072 0.1015 0.1015
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30 0.0054 0.0514 0.0514
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.5068 0.5068
Brugia malayi chromobox protein homolog 3 0.004 0.013 0.013
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 0.0054 0.0514 0.0514
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0054 0.0514 0.0514
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0442 0.0442
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.7776 0.7776
Echinococcus granulosus FK506 binding protein 8 38 kDa 0.0054 0.0514 0.0514
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.5068 0.5068
Loa Loa (eye worm) hypothetical protein 0.0054 0.0514 0.0514
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0391 1 1
Echinococcus multilocularis 0.0054 0.0514 0.0514
Onchocerca volvulus 0.0121 0.2396 0.5034
Loa Loa (eye worm) hypothetical protein 0.0085 0.1396 0.1396
Trichomonas vaginalis conserved hypothetical protein 0.004 0.013 0.013
Echinococcus multilocularis chromobox protein 1 0.0072 0.1015 0.1015
Loa Loa (eye worm) hypothetical protein 0.0337 0.8486 0.8486
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0391 1 1
Schistosoma mansoni hypothetical protein 0.0054 0.0514 0.0514
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0054 0.0514 0.0514
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0087 0.1453 0.1453
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0391 1 1
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0391 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.4758 0.4758
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0442 0.0442
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0391 1 1
Loa Loa (eye worm) heterochromatin protein 1 0.0072 0.1015 0.1015
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.7776 0.7776
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0391 1 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0087 0.1453 0.1453
Trypanosoma brucei FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0054 0.0514 0.0514
Leishmania major methionine aminopeptidase 2, putative 0.0087 0.1453 0.1453
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0087 0.1453 0.1453
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0391 1 1
Schistosoma mansoni immunophilin 0.0391 1 1
Toxoplasma gondii methionine aminopeptidase 2, putative 0.0087 0.1453 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.7776 0.7776
Echinococcus multilocularis fk506 binding protein 0.0391 1 1
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0054 0.0514 0.5
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0087 0.1453 0.1453
Schistosoma mansoni immunophilin 0.0337 0.8486 0.8486
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.7776 0.7776
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0391 1 1
Trypanosoma brucei macrophage infectivity potentiator, precursor, putative 0.0054 0.0514 0.0514
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0442 0.0442
Loa Loa (eye worm) hypothetical protein 0.0108 0.2044 0.2044
Trypanosoma brucei methionine aminopeptidase 2, putative 0.0087 0.1453 0.1453
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.4758 0.4758
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.4758 0.4758
Giardia lamblia Methionine aminopeptidase 0.0087 0.1453 0.099
Loa Loa (eye worm) hypothetical protein 0.0051 0.0442 0.0442
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.4758 0.4758
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.7776 0.7776
Echinococcus granulosus chromobox protein 1 0.0072 0.1015 0.1015
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0054 0.0514 0.5
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0054 0.0514 0.0514
Leishmania major peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative 0.0054 0.0514 0.0514
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0391 1 1
Brugia malayi Heterochromatin protein 1 0.0072 0.1015 0.1015
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0087 0.1453 0.3054
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0054 0.0514 0.0514
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0391 1 1
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0054 0.0514 0.5
Loa Loa (eye worm) initiation factor 2-associated protein 0.0087 0.1453 0.1453
Echinococcus multilocularis aminopeptidase N 0.0121 0.2396 0.2396
Onchocerca volvulus 0.0054 0.0514 0.1081
Trichomonas vaginalis fk506-binding protein, putative 0.0054 0.0514 0.0514
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.4758 0.4758
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.013 0.0272
Trichomonas vaginalis immunophilin, putative 0.0391 1 1
Mycobacterium ulcerans hypothetical protein 0.0054 0.0514 0.0514
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0514 0.0514
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0391 1 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33 0.0054 0.0514 0.0514
Loa Loa (eye worm) hypothetical protein 0.004 0.013 0.013
Loa Loa (eye worm) FKBP5 protein 0.0391 1 1
Trichomonas vaginalis fk506-binding protein, putative 0.0054 0.0514 0.0514
Echinococcus granulosus aminopeptidase N 0.0121 0.2396 0.2396
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0054 0.0514 0.0514
Echinococcus multilocularis chromobox protein 1 0.0072 0.1015 0.1015
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.7776 0.7776
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0391 1 1
Schistosoma mansoni immunophilin 0.0391 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0514 0.0514
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0087 0.1453 0.1453
Trichomonas vaginalis chromobox protein, putative 0.0072 0.1015 0.1015
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13 0.0054 0.0514 0.0514
Loa Loa (eye worm) peptidase family M1 containing protein 0.0098 0.1748 0.1748
Leishmania major FKBP-type peptidyl-prolyl cis-trans isomerase, putative 0.0054 0.0514 0.0514
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0391 1 1
Brugia malayi Peptidase family M1 containing protein 0.0121 0.2396 0.2396
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.7776 0.7776
Trichomonas vaginalis fk506-binding protein, putative 0.0391 1 1
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.0054 0.0514 0.0514
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0391 1 1
Leishmania major peptidylprolyl isomerase-like protein 0.0391 1 1
Plasmodium falciparum methionine aminopeptidase 2 0.0087 0.1453 0.099
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0391 1 1
Trypanosoma cruzi macrophage infectivity potentiator, precursor, putative 0.0054 0.0514 0.0514
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0054 0.0514 0.0514
Schistosoma mansoni chromobox protein 0.0072 0.1015 0.1015
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0391 1 1
Leishmania major fk506-binding protein 1-like protein 0.0391 1 1
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0215 0.0215
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0054 0.0514 0.0514
Onchocerca volvulus 0.0054 0.0514 0.1081
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0215 0.0453
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0087 0.1453 0.1453
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0087 0.1453 0.1453
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0391 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0054 0.0514 0.0514
Echinococcus granulosus methionyl aminopeptidase 2 0.0087 0.1453 0.1453
Trichomonas vaginalis chromobox protein, putative 0.0072 0.1015 0.1015
Echinococcus granulosus FK506 binding protein 2 0.0054 0.0514 0.0514
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-33 0.0054 0.0514 0.0514
Schistosoma mansoni fk506 binding protein 0.0054 0.0514 0.0514
Plasmodium vivax methionine aminopeptidase 2, putative 0.0087 0.1453 0.099
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0337 0.8486 0.8486
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0054 0.0514 0.5
Echinococcus multilocularis methionyl aminopeptidase 2 0.0087 0.1453 0.1453
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.4758 0.4758
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0391 1 1
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0391 1 1
Brugia malayi initiation factor 2-associated protein. 0.0087 0.1453 0.1453
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0391 1 1
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0054 0.0514 0.5
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0391 1 1
Schistosoma mansoni chromobox protein 0.0072 0.1015 0.1015
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.4758 0.4758
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.4758 1
Trichomonas vaginalis fk506 binding protein, putative 0.0054 0.0514 0.0514
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0054 0.0514 0.0514
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0215 0.0215
Entamoeba histolytica methionine aminopeptidase, putative 0.0087 0.1453 0.1453
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.7776 0.7776
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0087 0.1453 0.1453
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0054 0.0514 0.0514
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0337 0.8486 0.8486

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1413 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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

No literature references available for this target.

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