Detailed information for compound 1340971

Basic information

Technical information
  • TDR Targets ID: 1340971
  • Name: 1-hydroxy-5,5-dimethyl-2-phenyl-4-thiophen-2- yl-2H-imidazole
  • MW: 272.365 | Formula: C15H16N2OS
  • H donors: 1 H acceptors: 1 LogP: 3.36 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: ON1C(N=C(C1(C)C)c1cccs1)c1ccccc1
  • InChi: 1S/C15H16N2OS/c1-15(2)13(12-9-6-10-19-12)16-14(17(15)18)11-7-4-3-5-8-11/h3-10,14,18H,1-2H3
  • InChiKey: BYBIZRSWXIIGTB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-hydroxy-5,5-dimethyl-2-phenyl-4-(2-thienyl)-2H-imidazole
  • MLS000038917
  • SMR000036138
  • STOCK1S-22977
  • 5,5-Dimethyl-2-phenyl-4-thiophen-2-yl-2,5-dihydro-imidazol-1-ol
  • BAS 13119672

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase, type B Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0008 0.0099
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0008 0.0099
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.4223 0.5795
Schistosoma mansoni alpha-glucosidase 0.0169 0.5372 0.7372
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0771 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0008 0.001
Schistosoma mansoni lipoxygenase 0.01 0.2394 0.3285
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0008 0.5
Mycobacterium ulcerans beta-lactamase 0.0043 0 0.5
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.4223 0.5795
Brugia malayi MAP kinase sur-1 0.0062 0.0771 0.1057
Onchocerca volvulus 0.0114 0.3001 0.4118
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0771 0.1057
Echinococcus multilocularis geminin 0.0205 0.6878 0.9439
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0008 0.0099
Mycobacterium ulcerans lipase LipD 0.0043 0 0.5
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.0771 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0008 0.001
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0008 0.0099
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.6542 0.8977
Schistosoma mansoni alpha glucosidase 0.0044 0.0008 0.001
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.0771 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0008 0.0099
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0008 0.001
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.0771 1
Mycobacterium ulcerans hypothetical protein 0.0043 0 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0008 0.5
Echinococcus granulosus geminin 0.0205 0.6878 0.9439
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0008 0.0099
Schistosoma mansoni hypothetical protein 0.0205 0.6878 0.9439
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0771 1
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.0771 0.5
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0008 0.0099
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0008 0.0099
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0214 0.7287 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0771 0.1057
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0008 0.0099
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0771 1
Schistosoma mansoni hypothetical protein 0.0205 0.6878 0.9439
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.6542 0.8977
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0008 0.0099
Plasmodium vivax hypothetical protein, conserved 0.0043 0 0.5
Echinococcus granulosus vesicular acetylcholine transporter 0.0214 0.7287 1
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0771 0.1057
Mycobacterium leprae Probable lipase LipE 0.0043 0 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0 0.5
Echinococcus multilocularis vesicular acetylcholine transporter 0.0214 0.7287 1
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0214 0.7287 1
Schistosoma mansoni lipoxygenase 0.0142 0.4223 0.5795
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0771 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0771 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0008 0.001
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0008 0.0099
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.0771 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.6542 0.8977
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.6542 0.8977
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0771 0.1057
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0008 0.0099
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0771 0.1057
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0008 0.0099
Trypanosoma brucei protein kinase, putative 0.0062 0.0771 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.0771 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0771 0.1057
Trypanosoma brucei glucosidase, putative 0.0044 0.0008 0.0099
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0771 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.5372 0.7372
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.6542 0.8977
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.0771 1
Brugia malayi vesicular acetylcholine transporter unc-17 0.0214 0.7287 1
Schistosoma mansoni vesicular acetylcholine transporter 0.0214 0.7287 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.8913 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 3.2944 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 3.6626 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) = 14.0175 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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