Detailed information for compound 1574819

Basic information

Technical information
  • TDR Targets ID: 1574819
  • Name: 2-[[2-methyl-6-(3-nitrophenyl)imidazo[2,3-b][ 1,3]thiazol-5-yl]methylideneamino]guanidine h ydrochloride
  • MW: 379.825 | Formula: C14H14ClN7O2S
  • H donors: 2 H acceptors: 3 LogP: 3.66 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)N/N=C/c1c(nc2n1cc(s2)C)c1cccc(c1)[N+](=O)[O-].Cl
  • InChi: 1S/C14H13N7O2S.ClH/c1-8-7-20-11(6-17-19-13(15)16)12(18-14(20)24-8)9-3-2-4-10(5-9)21(22)23;/h2-7H,1H3,(H4,15,16,19);1H/b17-6+;
  • InChiKey: NHNCOMYJWGQWGL-ZDEOBDHWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[2-methyl-6-(3-nitrophenyl)imidazo[2,3-b]thiazol-5-yl]methyleneamino]guanidine hydrochloride
  • 2-[[2-methyl-6-(3-nitrophenyl)-5-imidazo[2,3-b]thiazolyl]methyleneamino]guanidine hydrochloride
  • NSC722871

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ribosomal protein S6 kinase, 90kDa, polypeptide 3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 Get druggable targets OG5_128147 All targets in OG5_128147
Brugia malayi ribosomal protein S6 kinase alpha 3 Get druggable targets OG5_128147 All targets in OG5_128147
Candida albicans Serine/threonine protein kinase Get druggable targets OG5_128147 All targets in OG5_128147
Loa Loa (eye worm) AGC/RSK/RSK protein kinase Get druggable targets OG5_128147 All targets in OG5_128147
Candida albicans Serine/threonine protein kinase Get druggable targets OG5_128147 All targets in OG5_128147
Giardia lamblia Kinase, AGC AKT Get druggable targets OG5_128147 All targets in OG5_128147
Leishmania mexicana rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_128147 All targets in OG5_128147
Leishmania infantum rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
Schistosoma japonicum Ribosomal protein S6 kinase alpha-2, putative Get druggable targets OG5_128147 All targets in OG5_128147
Leishmania braziliensis rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
Schistosoma japonicum IPR000719,Protein kinase,domain-containing Get druggable targets OG5_128147 All targets in OG5_128147
Schistosoma japonicum IPR000719,Protein kinase;IPR011009,Protein kinase-like,domain-containing Get druggable targets OG5_128147 All targets in OG5_128147
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 Get druggable targets OG5_128147 All targets in OG5_128147
Leishmania donovani rac serine-threonine kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
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 Aminopeptidase M1, putative 0.011 0.0197 1
Loa Loa (eye worm) hypothetical protein 0.011 0.0197 0.0054
Echinococcus granulosus dihydrofolate reductase 0.0185 0.057 0.0433
Echinococcus granulosus puromycin sensitive aminopeptidase 0.011 0.0197 0.0054
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0185 0.057 0.5
Toxoplasma gondii aminopeptidase N protein 0.011 0.0197 1
Onchocerca volvulus 0.011 0.0197 1
Brugia malayi Dihydrofolate reductase 0.0185 0.057 0.1
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0118 0.0237 0.0095
Echinococcus granulosus aminopeptidase N 0.011 0.0197 0.0054
Loa Loa (eye worm) leukotriene A4 hydrolase 0.2073 1 1
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.011 0.0197 0.5
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.011 0.0197 1
Trypanosoma brucei Aminopeptidase M1, putative 0.011 0.0197 1
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.011 0.0197 1
Chlamydia trachomatis dihydrofolate reductase 0.0185 0.057 0.5
Loa Loa (eye worm) hypothetical protein 0.011 0.0197 0.0054
Toxoplasma gondii aminopeptidase N, putative 0.011 0.0197 1
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.011 0.0197 1
Schistosoma mansoni dihydrofolate reductase 0.0185 0.057 0.0433
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0118 0.0237 0.0095
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.011 0.0197 0.5
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.011 0.0197 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.011 0.0197 0.0054
Brugia malayi Peptidase family M1 containing protein 0.011 0.0197 0.0124
Echinococcus granulosus puromycin sensitive aminopeptidase 0.011 0.0197 0.0054
Toxoplasma gondii aminopeptidase n, putative 0.011 0.0197 1
Echinococcus multilocularis dihydrofolate reductase 0.0185 0.057 0.0433
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.011 0.0197 0.0054
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.011 0.0197 1
Plasmodium falciparum M1-family alanyl aminopeptidase 0.011 0.0197 1
Brugia malayi Peptidase family M1 containing protein 0.011 0.0197 0.0124
Brugia malayi TATA binding protein associated factor 0.011 0.0197 0.0124
Brugia malayi ribosomal protein S6 kinase alpha 3 0.0101 0.0153 0.0022
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.011 0.0197 1
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0398 0.1635 0.1513
Trypanosoma cruzi aminopeptidase, putative 0.011 0.0197 1
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.2073 1 1
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.011 0.0197 0.5
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.011 0.0197 1
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.011 0.0197 0.0054
Brugia malayi hypothetical protein 0.011 0.0197 0.0124
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.0101 0.0153 0.7786
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.011 0.0197 1
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.011 0.0197 1
Echinococcus multilocularis aminopeptidase N 0.011 0.0197 0.0054
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.011 0.0197 0.0054
Echinococcus granulosus puromycin sensitive aminopeptidase 0.011 0.0197 0.0054
Brugia malayi dihydrofolate reductase family protein 0.0185 0.057 0.1
Loa Loa (eye worm) peptidase family M1 containing protein 0.011 0.0197 0.0054
Schistosoma mansoni aminopeptidase A (M01 family) 0.011 0.0197 0.0054
Echinococcus granulosus puromycin sensitive aminopeptidase 0.011 0.0197 0.0054
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.011 0.0197 0.0054
Loa Loa (eye worm) dihydrofolate reductase 0.0185 0.057 0.0433
Echinococcus multilocularis leukotriene A 4 hydrolase 0.2073 1 1
Brugia malayi hypothetical protein 0.011 0.0197 0.0124
Entamoeba histolytica aminopeptidase, putative 0.011 0.0197 0.5
Onchocerca volvulus 0.011 0.0197 1
Brugia malayi Angiotensin-converting enzyme family protein 0.0398 0.1635 0.3498
Trypanosoma brucei Aminopeptidase M1, putative 0.011 0.0197 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.011 0.0197 0.0054
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.011 0.0197 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.011 0.0197 0.0054
Brugia malayi hypothetical protein 0.0953 0.4407 1
Loa Loa (eye worm) hypothetical protein 0.011 0.0197 0.0054
Loa Loa (eye worm) aminopeptidase N 0.011 0.0197 0.0054
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0118 0.0237 0.0095
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.011 0.0197 1
Trypanosoma cruzi aminopeptidase, putative 0.011 0.0197 1
Schistosoma mansoni serine/threonine protein kinase 0.0118 0.0237 0.0095
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.011 0.0197 0.0054
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0185 0.057 0.5
Onchocerca volvulus 0.011 0.0197 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.011 0.0197 1
Giardia lamblia Kinase, AGC AKT 0.0101 0.0153 0.5
Loa Loa (eye worm) TATA binding protein associated factor 0.011 0.0197 0.0054
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.011 0.0197 1
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.011 0.0197 0.0054
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.011 0.0197 0.0054
Trypanosoma brucei aminopeptidase, putative 0.011 0.0197 1
Brugia malayi Peptidase family M1 containing protein 0.011 0.0197 0.0124
Echinococcus granulosus puromycin sensitive aminopeptidase 0.011 0.0197 0.0054
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0185 0.057 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.788 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.786 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.778 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.768 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.759 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.716 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.704 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.622 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.25 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) = 17.5 uM Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay ChEMBL. 21794960
IC50 (binding) = 59 uM Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay ChEMBL. 21794960
IC50 (binding) > 100 uM Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay ChEMBL. 21794960

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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