Detailed information for compound 1001120

Basic information

Technical information
  • TDR Targets ID: 1001120
  • Name: 4-methyl-1,3-thiazol-2-amine
  • MW: 114.169 | Formula: C4H6N2S
  • H donors: 1 H acceptors: 1 LogP: 1.01 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1csc(n1)N
  • InChi: 1S/C4H6N2S/c1-3-2-7-4(5)6-3/h2H,1H3,(H2,5,6)
  • InChiKey: OUQMXTJYCAJLGO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-methylthiazol-2-amine
  • 4-Methyl-2-thiazolamine
  • (4-methylthiazol-2-yl)amine
  • 1603-91-4
  • MLS000069416
  • SMR000059048
  • InChI=1/C4H6N2S/c1-3-2-7-4(5)6-3/h2H,1H3,(H2,5,6
  • A66006_ALDRICH
  • 2-Amino-4-methylthiazole
  • 2-Thiazolamine, 4-methyl-
  • 4-Methyl-2-aminothiazole
  • 4-Methyl-2-thiazolylamine
  • NSC40462
  • Normotiroide
  • Thiazole, 2-amino-4-methyl-
  • ZINC01508691
  • SBB004307
  • 24T
  • 4-Methylthiazol-2-ylamine
  • AI3-61054
  • EINECS 216-505-6

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens nitric oxide synthase 1 (neuronal) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) CYP4Cod1 0.0025 0.0054 0.0059
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0027 0.0064 0.0599
Schistosoma mansoni fatty acid desaturase 0.0146 0.0735 0.6879
Mycobacterium leprae Conserved hypothetical protein 0.0016 0 0.5
Trypanosoma cruzi fatty acid desaturase, putative 0.1639 0.9177 0.9177
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0146 0.0735 0.6879
Leishmania major p450 reductase, putative 0.0027 0.0064 0.0064
Trypanosoma cruzi fatty acid desaturase, putative 0.0146 0.0735 0.0735
Trypanosoma brucei cytochrome b5-dependent oleate desaturase 0.0146 0.0735 0.0735
Loa Loa (eye worm) hypothetical protein 0.0146 0.0735 0.0801
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0027 0.0064 0.0064
Leishmania major cytochrome p450-like protein 0.0025 0.0054 0.0054
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0146 0.0735 0.0735
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0027 0.0064 0.0064
Mycobacterium tuberculosis Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f 0.0146 0.0735 0.977
Trypanosoma cruzi p450 reductase, putative 0.0027 0.0064 0.0064
Mycobacterium ulcerans hypothetical protein 0.0146 0.0735 0.977
Leishmania major delta-5 fatty acid desaturase 0.0146 0.0735 0.0735
Giardia lamblia Nitric oxide synthase, inducible 0.0024 0.0047 0.5
Plasmodium vivax stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative 0.1639 0.9177 1
Echinococcus granulosus Fatty acid desaturase type 1 0.0146 0.0735 0.6879
Chlamydia trachomatis sulfite reductase 0.0017 0.0006 0.5
Echinococcus granulosus methionine synthase reductase 0.0017 0.0006 0.0055
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0149 0.0752 1
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0146 0.0735 0.0735
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0146 0.0735 0.6879
Mycobacterium ulcerans electron transfer protein FdxB 0.0149 0.0752 1
Plasmodium falciparum stearoyl-CoA desaturase 0.1639 0.9177 1
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0017 0.0006 0.0055
Echinococcus granulosus geminin 0.0205 0.1069 1
Trypanosoma cruzi cytochrome b5-dependent oleate desaturase 0.0146 0.0735 0.0735
Trichomonas vaginalis sulfite reductase, putative 0.0027 0.0064 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0027 0.0064 0.007
Leishmania major fatty-acid desaturase, putative 0.1785 1 1
Onchocerca volvulus 0.1785 1 1
Trypanosoma brucei sphingolipid delta 4 desaturase, putative 0.0146 0.0735 0.0735
Brugia malayi acyl-CoA desaturase 0.1639 0.9177 1
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0027 0.0064 0.0599
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0146 0.0735 0.0735
Trypanosoma brucei delta-4 fatty acid desaturase 0.0146 0.0735 0.0735
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0146 0.0735 0.977
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0025 0.0054 0.0724
Onchocerca volvulus 0.1785 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0054 0.0059
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0146 0.0735 0.977
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0027 0.0064 0.0064
Trypanosoma brucei delta-6 fatty acid desaturase, putative 0.0146 0.0735 0.0735
Loa Loa (eye worm) fatty acid desaturase 0.0146 0.0735 0.0801
Loa Loa (eye worm) hypothetical protein 0.0027 0.0064 0.007
Loa Loa (eye worm) FAD binding domain-containing protein 0.0017 0.0006 0.0006
Brugia malayi Cytochrome P450 family protein 0.0025 0.0054 0.0059
Trypanosoma brucei fatty acid desaturase, putative 0.1785 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0025 0.0054 0.0054
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0146 0.0735 0.0735
Loa Loa (eye worm) FAT-3 protein 0.0146 0.0735 0.0801
Leishmania major fatty acid desaturase, putative 0.0146 0.0735 0.0735
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0027 0.0064 0.0064
Brugia malayi FAD binding domain containing protein 0.0017 0.0006 0.0006
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0027 0.0064 0.0064
Leishmania major delta-6 fatty acid desaturase 0.0146 0.0735 0.0735
Schistosoma mansoni cytochrome P450 reductase 0.0027 0.0064 0.0599
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3_2 0.0146 0.0735 0.977
Mycobacterium ulcerans transmembrane alkane 1-monooxygenase AlkB 0.0146 0.0735 0.977
Loa Loa (eye worm) cytochrome P450 family protein 0.0058 0.0237 0.0258
Schistosoma mansoni hypothetical protein 0.0205 0.1069 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0054 0.0059
Brugia malayi Cytochrome P450 family protein 0.0025 0.0054 0.0059
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0027 0.0064 0.0019
Mycobacterium leprae putative cytochrome p450 0.0016 0 0.5
Echinococcus multilocularis methionine synthase reductase 0.0017 0.0006 0.0055
Echinococcus granulosus Sphingolipid delta4 desaturase DES1 0.0146 0.0735 0.6879
Leishmania major cytochrome P450 reductase, putative 0.0024 0.0047 0.0047
Echinococcus multilocularis geminin 0.0205 0.1069 1
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0027 0.0064 0.0599
Mycobacterium ulcerans hypothetical protein 0.0146 0.0735 0.977
Brugia malayi FAD binding domain containing protein 0.0027 0.0064 0.007
Trypanosoma cruzi sphingolipid delta 4 desaturase, putative 0.0146 0.0735 0.0735
Giardia lamblia Hypothetical protein 0.0024 0.0047 0.5
Leishmania major delta-4 fatty acid desaturase 0.0146 0.0735 0.0735
Brugia malayi Cytochrome P450 family protein 0.0058 0.0237 0.0258
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0027 0.0064 0.0064
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0027 0.0064 0.0064
Schistosoma mansoni hypothetical protein 0.0205 0.1069 1
Trypanosoma cruzi fatty acid desaturase, putative 0.1639 0.9177 0.9177
Trypanosoma brucei cytochrome P450, putative 0.0025 0.0054 0.0054
Brugia malayi flavodoxin family protein 0.0027 0.0064 0.007
Mycobacterium tuberculosis Probable conserved membrane protein 0.0146 0.0735 0.977
Brugia malayi Delta5 fatty acid desaturase 0.0146 0.0735 0.0801
Brugia malayi Fatty acid desaturase family protein 0.0146 0.0735 0.0801
Leishmania major fatty acid desaturase, putative 0.0146 0.0735 0.0735
Trypanosoma cruzi fatty acid desaturase, putative 0.0146 0.0735 0.0735
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0027 0.0064 0.0064
Trypanosoma cruzi cytochrome P450, putative 0.0025 0.0054 0.0054
Echinococcus multilocularis Fatty acid desaturase, type 1 0.0146 0.0735 0.6879
Trypanosoma cruzi fatty acid desaturase, putative 0.1785 1 1
Loa Loa (eye worm) fatty acid desaturase 0.0146 0.0735 0.0801
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0146 0.0735 0.0735
Toxoplasma gondii sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein 0.0146 0.0735 1
Leishmania major delta-12 fatty acid desaturase 0.0146 0.0735 0.0735
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0146 0.0735 0.0735
Brugia malayi Fatty acid desaturase family protein 0.0146 0.0735 0.0801
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0027 0.0064 0.0599
Loa Loa (eye worm) acyl-CoA desaturase 0.1639 0.9177 1
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0027 0.0064 0.0851

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 10 uM Inhibition of nNOS assessed as conversion of L-[3H]arginine to L-[3H]citrulline ChEMBL. 18477512
Potency (functional) 0.1158 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) 32.6427 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) 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.

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