Detailed information for compound 897758

Basic information

Technical information
  • TDR Targets ID: 897758
  • Name: 5-tert-butyl-4-phenyl-1,3-thiazol-2-amine
  • MW: 232.345 | Formula: C13H16N2S
  • H donors: 1 H acceptors: 1 LogP: 3.97 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1sc(c(n1)c1ccccc1)C(C)(C)C
  • InChi: 1S/C13H16N2S/c1-13(2,3)11-10(15-12(14)16-11)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,14,15)
  • InChiKey: CNMGPWGMAPXPOX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-tert-butyl-4-phenyl-thiazol-2-amine
  • 5-tert-butyl-4-phenyl-2-thiazolamine
  • (5-tert-butyl-4-phenyl-thiazol-2-yl)amine
  • Oprea1_819619
  • T0200-0044
  • MLS000578070
  • SMR000186280
  • ZINC00241326
  • IDI1_008065
  • Enamine_005830

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0154 0.0833
Loa Loa (eye worm) RNA binding protein 0.0076 0.0154 0.0833
Onchocerca volvulus 0.0535 0.1612 1
Trypanosoma cruzi squalene monooxygenase, putative 0.3171 1 1
Toxoplasma gondii electron transfer flavoprotein-ubiquinone oxidoreductase 0.0078 0.0158 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.1093 0.6737
Toxoplasma gondii histone lysine-specific demethylase 0.0078 0.0158 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.0452 0.4016
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.0467 0.2804
Echinococcus granulosus snurportin 1 0.0372 0.1093 1
Plasmodium vivax adrenodoxin reductase, putative 0.0078 0.0158 1
Mycobacterium tuberculosis Possible alanine rich dehydrogenase 0.0078 0.0158 0.5
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0154 0.0833
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.0074 0.388
Mycobacterium tuberculosis Cholesterol oxidase ChoD (cholesterol-O2 oxidoreductase) 0.0078 0.0158 0.5
Loa Loa (eye worm) hypothetical protein 0.0535 0.1612 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.006 0.2881
Trypanosoma cruzi electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0078 0.0158 0.0158
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0086 0.0606
Mycobacterium tuberculosis Monooxygenase EthA 0.0078 0.0158 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.0074 0.0494
Echinococcus granulosus protoporphyrinogen oxidase 0.0078 0.0158 0.1274
Echinococcus multilocularis prenylcysteine oxidase 0.0078 0.0158 0.1274
Trypanosoma cruzi squalene monooxygenase, putative 0.3171 1 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.0074 0.388
Loa Loa (eye worm) hypothetical protein 0.0078 0.0158 0.0858
Brugia malayi TAR-binding protein 0.0076 0.0154 0.0833
Mycobacterium tuberculosis Probable dehydrogenase 0.0078 0.0158 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0086 0.0606
Brugia malayi all-trans-13,14-dihydroretinol saturase 0.0078 0.0158 0.0858
Mycobacterium tuberculosis Possible oxidoreductase 0.0078 0.0158 0.5
Mycobacterium ulcerans UDP-galactopyranose mutase Glf 0.0078 0.0158 0.5
Echinococcus multilocularis Protein lozenge 0.0067 0.0124 0.0958
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.0074 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.006 1
Plasmodium vivax unspecified product 0.0078 0.0158 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0086 0.0606
Echinococcus multilocularis snurportin 1 0.0372 0.1093 1
Schistosoma mansoni hypothetical protein 0.0078 0.0158 0.1274
Toxoplasma gondii prenylcysteine oxidase 0.0078 0.0158 1
Brugia malayi hypothetical protein 0.0535 0.1612 1
Mycobacterium ulcerans dehydrogenase 0.0078 0.0158 0.5
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0078 0.0158 1
Brugia malayi RNA, U transporter 1 0.0099 0.0225 0.1284
Mycobacterium tuberculosis Probable oxidoreductase 0.0078 0.0158 0.5
Toxoplasma gondii hypothetical protein 0.0078 0.0158 1
Brugia malayi RNA binding protein 0.0076 0.0154 0.0833
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0086 0.0606
Plasmodium vivax unspecified product 0.0078 0.0158 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0086 0.0606
Loa Loa (eye worm) hypothetical protein 0.0535 0.1612 1
Mycobacterium tuberculosis Probable monooxygenase (hydroxylase) 0.0078 0.0158 0.5
Mycobacterium leprae Probable monooxygenase EthA 0.0078 0.0158 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0154 0.1237
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0154 0.0833
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0154 0.1237
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.0467 0.4162
Echinococcus granulosus prenylcysteine oxidase 0.0078 0.0158 0.1274
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0078 0.0158 1
Trypanosoma cruzi electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0078 0.0158 0.0158
Schistosoma mansoni hypothetical protein 0.0372 0.1093 1
Loa Loa (eye worm) lethal protein 721 0.0078 0.0158 0.0858
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0154 0.1237
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0154 0.1237
Mycobacterium ulcerans monooxygenase EthA 0.0078 0.0158 0.5
Mycobacterium ulcerans oxidoreductase 0.0078 0.0158 0.5
Schistosoma mansoni amine oxidase 0.0078 0.0158 0.1274
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0086 0.0606
Mycobacterium tuberculosis Unknown protein 0.0078 0.0158 0.5
Echinococcus granulosus tar DNA binding protein 0.0076 0.0154 0.1237
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0078 0.0158 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.0074 1
Leishmania major electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0078 0.0158 0.0158
Trypanosoma brucei squalene monooxygenase, putative 0.3171 1 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0078 0.0158 0.0158
Mycobacterium tuberculosis Probable dehydrogenase 0.0078 0.0158 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0086 0.0606
Loa Loa (eye worm) hypothetical protein 0.0078 0.0158 0.0858
Mycobacterium leprae Probable UDP-galactopyranose mutase Glf (UDP-galp mutase) (NAD+-flavin adenine dinucleotide-requiring enzyme) 0.0078 0.0158 0.5
Loa Loa (eye worm) runx1 0.0067 0.0124 0.0645
Schistosoma mansoni lozenge 0.0067 0.0124 0.0958
Mycobacterium tuberculosis UDP-galactopyranose mutase Glf (UDP-GALP mutase) (NAD+-flavin adenine dinucleotide-requiring enzyme) 0.0078 0.0158 0.5
Mycobacterium ulcerans dehydrogenase 0.0078 0.0158 0.5
Loa Loa (eye worm) acetyltransferase 0.0175 0.0467 0.2804
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0154 0.1237
Plasmodium vivax unspecified product 0.0078 0.0158 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0086 0.0408
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0078 0.0158 1
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0154 0.1237
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.006 0.5
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.0467 0.4162
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.0074 0.388
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0086 0.0408

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3548 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.2387 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 89.1251 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

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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