Detailed information for compound 1468420

Basic information

Technical information
  • TDR Targets ID: 1468420
  • Name: 1-[2-(3-hydroxypropylamino)benzimidazol-1-yl] -3,3-dimethylbutan-2-one
  • MW: 289.373 | Formula: C16H23N3O2
  • H donors: 2 H acceptors: 3 LogP: 3.23 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCCNc1nc2c(n1CC(=O)C(C)(C)C)cccc2
  • InChi: 1S/C16H23N3O2/c1-16(2,3)14(21)11-19-13-8-5-4-7-12(13)18-15(19)17-9-6-10-20/h4-5,7-8,20H,6,9-11H2,1-3H3,(H,17,18)
  • InChiKey: LWJUUJDEFOIYQF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-3,3-dimethyl-butan-2-one
  • 1-[2-(3-hydroxypropylamino)-1-benzimidazolyl]-3,3-dimethylbutan-2-one
  • STK029307
  • EU-0005674
  • ZINC04562298

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
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0095 0.442
Mycobacterium tuberculosis Conserved hypothetical protein 0.0395 0.3661 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0188 0.0457
Mycobacterium tuberculosis Conserved protein 0.0037 0.0188 0.0457
Onchocerca volvulus 0.0252 0.2274 0.2185
Schistosoma mansoni patched 1 0.0045 0.0267 0.0675
Loa Loa (eye worm) hypothetical protein 0.0037 0.0188 0.085
Loa Loa (eye worm) hypothetical protein 0.0037 0.0188 0.085
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0188 0.085
Loa Loa (eye worm) hypothetical protein 0.0159 0.137 0.6897
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0136 0.0313
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0162 0.0386
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0188 0.0457
Echinococcus granulosus geminin 0.0368 0.3391 0.9259
Echinococcus multilocularis expressed conserved protein 0.0099 0.079 0.2111
Loa Loa (eye worm) hypothetical protein 0.0056 0.0366 0.1761
Schistosoma mansoni hypothetical protein 0.0035 0.0162 0.0386
Brugia malayi Pre-SET motif family protein 0.0032 0.0136 0.037
Echinococcus multilocularis GPCR, family 2 0.0035 0.0162 0.0386
Echinococcus granulosus Niemann Pick C1 protein 0.0151 0.1292 0.3491
Mycobacterium tuberculosis Hypothetical protein 0.0395 0.3661 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0303 0.0828
Schistosoma mansoni hypothetical protein 0.0044 0.0251 0.0631
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0109 0.0885 0.4415
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0188 0.0457
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0188 1
Mycobacterium ulcerans lipase LipD 0.0037 0.0188 0.0457
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0136 0.0313
Echinococcus granulosus expressed conserved protein 0.0099 0.079 0.2111
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0303 0.0775
Loa Loa (eye worm) hypothetical protein 0.0037 0.0188 0.085
Brugia malayi Muscleblind-like protein 0.0159 0.137 0.3743
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0114 0.0471
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0188 0.0457
Schistosoma mansoni hypothetical protein 0.0035 0.0162 0.0386
Loa Loa (eye worm) hypothetical protein 0.0032 0.0136 0.0583
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0095 0.442
Giardia lamblia Hypothetical protein 0.0395 0.3661 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0188 0.085
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0188 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0188 0.085
Mycobacterium tuberculosis Conserved protein 0.0037 0.0188 0.0457
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0136 0.6861
Brugia malayi beta-lactamase family protein 0.0037 0.0188 0.0513
Brugia malayi beta-lactamase family protein 0.0037 0.0188 0.0513
Echinococcus multilocularis protein dispatched 1 0.0052 0.0329 0.0845
Mycobacterium tuberculosis Long conserved protein 0.0395 0.3661 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0136 0.0313
Mycobacterium ulcerans putative transglutaminase-like protein 0.0395 0.3661 1
Schistosoma mansoni hypothetical protein 0.0035 0.0162 0.0386
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0188 0.0457
Mycobacterium ulcerans hypothetical protein 0.0395 0.3661 1
Onchocerca volvulus 0.0032 0.0136 0.0022
Onchocerca volvulus 0.0037 0.0188 0.0075
Schistosoma mansoni hypothetical protein 0.0044 0.0251 0.0631
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0109 0.0885 0.2417
Brugia malayi CHE-14 protein 0.0045 0.0267 0.0729
Schistosoma mansoni hypothetical protein 0.0044 0.0251 0.0631
Loa Loa (eye worm) hypothetical protein 0.0109 0.0885 0.4415
Loa Loa (eye worm) hypothetical protein 0.0035 0.0162 0.0718
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0021 0.5
Schistosoma mansoni hypothetical protein 0.0368 0.3391 0.9259
Echinococcus multilocularis lamin 0.003 0.0114 0.0253
Leishmania major hypothetical protein, conserved 0.0037 0.0188 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0188 0.0457
Brugia malayi hypothetical protein 0.0028 0.0095 0.0259
Schistosoma mansoni hypothetical protein 0.0035 0.0162 0.0386
Schistosoma mansoni intermediate filament proteins 0.003 0.0114 0.0253
Echinococcus multilocularis Niemann Pick C1 protein 0.0106 0.0852 0.2282
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0162 0.0386
Loa Loa (eye worm) hypothetical protein 0.0028 0.0095 0.0376
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0188 0.0457
Trichomonas vaginalis set domain proteins, putative 0.0252 0.2274 0.619
Echinococcus granulosus lamin 0.003 0.0114 0.0253
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0303 0.0775
Leishmania major hypothetical protein, conserved 0.0028 0.0095 0.442
Echinococcus multilocularis sterol regulatory element binding protein 0.0045 0.0267 0.0675
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0303 0.0775
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0021 0.0058
Mycobacterium tuberculosis Conserved protein 0.0037 0.0188 0.0457
Loa Loa (eye worm) MH2 domain-containing protein 0.0133 0.1118 0.5605
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0162 0.0442
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0188 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0395 0.3661 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0303 0.0775
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0222 0.1977 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0114 0.0471
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0021 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0303 0.0775
Onchocerca volvulus 0.0037 0.0188 0.0075
Echinococcus granulosus muscleblind protein 0.0159 0.137 0.3706
Echinococcus granulosus Niemann Pick C1 protein 0.0106 0.0852 0.2282
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0188 0.0457
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0188 0.0457
Brugia malayi Pre-SET motif family protein 0.0222 0.1977 0.5401
Echinococcus multilocularis Niemann Pick C1 protein 0.0151 0.1292 0.3491
Brugia malayi Niemann-Pick C1 protein precursor 0.0106 0.0852 0.2327
Echinococcus granulosus intermediate filament protein 0.003 0.0114 0.0253
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0303 0.0775
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0188 0.0457
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0188 0.0457
Schistosoma mansoni hypothetical protein 0.0075 0.055 0.1453
Echinococcus multilocularis protein patched 0.0045 0.0267 0.0675
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0045 0.0267 0.1255
Mycobacterium tuberculosis Conserved protein 0.0395 0.3661 1
Echinococcus granulosus GPCR family 2 0.0035 0.0162 0.0386
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0188 0.0457
Echinococcus granulosus lamin dm0 0.003 0.0114 0.0253
Brugia malayi Thioredoxin family protein 0.0395 0.3661 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.0852 0.4247
Schistosoma mansoni lamin 0.003 0.0114 0.0253
Echinococcus multilocularis muscleblind protein 0.0159 0.137 0.3706
Mycobacterium leprae Conserved hypothetical protein 0.0395 0.3661 1
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0188 0.0457
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0095 0.442
Echinococcus multilocularis geminin 0.0368 0.3391 0.9259
Giardia lamblia Transglutaminase/protease, putative 0.0395 0.3661 1
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0188 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0303 0.1441
Brugia malayi latrophilin 2 splice variant baaae 0.0075 0.055 0.1503
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0238 0.2131 0.5796
Mycobacterium ulcerans hypothetical protein 0.0037 0.0188 0.0457
Echinococcus multilocularis musashi 0.003 0.0114 0.0253
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0162 0.0386
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0162 0.0718
Echinococcus multilocularis lamin dm0 0.003 0.0114 0.0253
Loa Loa (eye worm) beta-lactamase 0.0037 0.0188 0.085
Trichomonas vaginalis esterase, putative 0.0037 0.0188 0.0457
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0114 0.031
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0095 0.442
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0136 0.0313
Mycobacterium ulcerans transglutaminase family protein 0.0395 0.3661 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0136 0.0313
Loa Loa (eye worm) hypothetical protein 0.0159 0.137 0.6897
Schistosoma mansoni hypothetical protein 0.0368 0.3391 0.9259
Trichomonas vaginalis peptide N-glycanase, putative 0.0395 0.3661 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0188 0.085
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0303 0.0775
Echinococcus multilocularis muscleblind protein 1 0.0159 0.137 0.3706
Brugia malayi intermediate filament protein 0.003 0.0114 0.031
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0188 0.0457
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0095 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0108 0.0445
Brugia malayi Calcitonin receptor-like protein seb-1 0.0109 0.0885 0.2417
Loa Loa (eye worm) transcription factor SMAD2 0.0133 0.1118 0.5605
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0106 0.0852 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0188 0.0457
Schistosoma mansoni lamin 0.003 0.0114 0.0253
Brugia malayi beta-lactamase 0.0037 0.0188 0.0513
Toxoplasma gondii ABC1 family protein 0.0037 0.0188 1
Plasmodium vivax SET domain protein, putative 0.0032 0.0136 0.6861
Loa Loa (eye worm) hypothetical protein 0.0045 0.0267 0.1255
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0162 0.0442
Schistosoma mansoni hypothetical protein 0.0395 0.3661 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0188 0.0457
Loa Loa (eye worm) intermediate filament protein 0.003 0.0114 0.0471
Echinococcus multilocularis Transglutaminase 0.0395 0.3661 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0188 0.0457
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0136 0.0313
Loa Loa (eye worm) hypothetical protein 0.0075 0.055 0.2704
Mycobacterium leprae Conserved hypothetical protein 0.0395 0.3661 1
Echinococcus granulosus Transglutaminase 0.0395 0.3661 1
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0267 0.0675
Echinococcus granulosus sterol regulatory element binding protein 0.0045 0.0267 0.0675
Brugia malayi MH2 domain containing protein 0.0133 0.1118 0.3053
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0107 0.0868 0.2326
Schistosoma mansoni hypothetical protein 0.0044 0.0251 0.0631
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0162 0.0386
Echinococcus granulosus Protein patched homolog 1 0.0045 0.0267 0.0675
Mycobacterium ulcerans hypothetical protein 0.0395 0.3661 1
Mycobacterium ulcerans beta-lactamase 0.0037 0.0188 0.0457
Onchocerca volvulus 0.0037 0.0188 0.0075
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0188 0.0513
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0095 0.442
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0188 0.0457
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0136 0.0313
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0095 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0124 0.0282

Activities

No activities found for this compound.

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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