Detailed information for compound 1330488

Basic information

Technical information
  • TDR Targets ID: 1330488
  • Name: KM 01200
  • MW: 247.316 | Formula: C12H13N3OS
  • H donors: 1 H acceptors: 2 LogP: 1.62 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1n(C)nc(c1C(=O)N)c1ccccc1
  • InChi: 1S/C12H13N3OS/c1-15-12(17-2)9(11(13)16)10(14-15)8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,13,16)
  • InChiKey: IXDLBYOPNKDXGO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ZINC00095376
  • Maybridge3_003370
  • IDI1_014757
  • 1-methyl-5-(methylthio)-3-phenyl-1H-pyrazole-4-carboxamide
  • MLS000859138
  • SMR000459317

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni tyrosine kinase 0.0159 0.0753 0.1718
Schistosoma mansoni tyrosine kinase 0.0095 0.0309 0.0537
Brugia malayi Latrophilin receptor protein 2 0.0279 0.1595 0.1568
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.1155 0.773 0.7723
Loa Loa (eye worm) hypothetical protein 0.0881 0.5816 0.5803
Plasmodium falciparum ataxin-2 like protein, putative 0.0218 0.1171 1
Brugia malayi isocitrate dehydrogenase 0.0166 0.0806 0.0777
Loa Loa (eye worm) latrophilin receptor protein 2 0.0279 0.1595 0.1568
Loa Loa (eye worm) AUR protein kinase 0.0112 0.0428 0.0398
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0356 0.2134 0.9719
Loa Loa (eye worm) hypothetical protein 0.0098 0.033 0.03
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0166 0.0806 0.5091
Echinococcus multilocularis epidermal growth factor receptor 0.0299 0.1732 1
Echinococcus multilocularis insulin receptor 0.0095 0.0309 0.124
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.085 0.3871
Brugia malayi MH1 domain containing protein 0.0101 0.0347 0.0316
Loa Loa (eye worm) TAR-binding protein 0.0067 0.0108 0.0077
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0799 0.5237 1
Trypanosoma brucei aurora B kinase 0.0112 0.0428 0.1948
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0095 0.0309 0.124
Loa Loa (eye worm) TK/EGFR protein kinase 0.0299 0.1732 0.1707
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0098 0.033 0.1369
Schistosoma mansoni tyrosine kinase 0.016 0.0765 0.175
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0166 0.0806 0.367
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0881 0.5816 0.5803
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0086 0.0246 0.0216
Loa Loa (eye worm) MH2 domain-containing protein 0.0101 0.0347 0.0316
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.2196 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0166 0.0806 0.4298
Echinococcus multilocularis isocitrate dehydrogenase 0.0166 0.0806 0.4298
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0166 0.0806 0.4298
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0098 0.033 0.248
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.2196 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0279 0.1595 0.9152
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0095 0.0309 0.124
Brugia malayi latrophilin 2 splice variant baaae 0.0602 0.3862 0.3843
Loa Loa (eye worm) hypothetical protein 0.0218 0.1171 0.1143
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0098 0.033 0.1369
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.085 0.3871
Schistosoma mansoni tyrosine kinase 0.0159 0.0753 0.1718
Brugia malayi Protein kinase domain containing protein 0.0095 0.0309 0.0279
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0881 0.5816 0.5803
Brugia malayi serine/threonine protein kinase 6 0.0112 0.0428 0.0398
Echinococcus granulosus Smad4 0.0101 0.0347 0.147
Trypanosoma cruzi PAB1-binding protein , putative 0.0218 0.1171 0.533
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0098 0.033 0.1369
Echinococcus multilocularis aurora kinase A 0.0112 0.0428 0.1971
Loa Loa (eye worm) hypothetical protein 0.0402 0.2457 0.2434
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.085 0.2388
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0112 0.0428 0.1971
Schistosoma mansoni protein kinase 0.0112 0.0428 0.0853
Loa Loa (eye worm) hypothetical protein 0.0602 0.3862 0.3843
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.1155 0.773 0.7723
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0086 0.0246 0.0852
Echinococcus multilocularis GPCR, family 2 0.0279 0.1595 0.9152
Brugia malayi Isocitrate dehydrogenase 0.0166 0.0806 0.0777
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.2196 1
Schistosoma mansoni hypothetical protein 0.0098 0.0327 0.0584
Schistosoma mansoni tyrosine kinase 0.0299 0.1732 0.4328
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0166 0.0806 0.4298
Brugia malayi MH2 domain containing protein 0.0101 0.0347 0.0316
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.1155 0.773 1
Schistosoma mansoni smad1 5 8 and 0.0101 0.0347 0.0636
Brugia malayi MH2 domain containing protein 0.0101 0.0347 0.0316
Loa Loa (eye worm) MH1 domain-containing protein 0.0101 0.0347 0.0316
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0279 0.1595 0.9152
Loa Loa (eye worm) RNA binding protein 0.0067 0.0108 0.0077
Loa Loa (eye worm) transcription factor SMAD2 0.1479 1 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.1155 0.773 1
Schistosoma mansoni hypothetical protein 0.0279 0.1595 0.3961
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1155 0.773 1
Schistosoma mansoni serine/threonine protein kinase 0.0112 0.0428 0.0853
Schistosoma mansoni smad 0.0101 0.0347 0.0636
Brugia malayi N-terminal motif family protein 0.0402 0.2457 0.2434
Trypanosoma cruzi hypothetical protein, conserved 0.0356 0.2134 0.9719
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0112 0.0428 0.1971
Echinococcus multilocularis 0.0092 0.0288 0.1111
Trypanosoma brucei PAB1-binding protein , putative 0.0218 0.1171 0.533
Schistosoma mansoni tyrosine kinase 0.0095 0.0309 0.0537
Loa Loa (eye worm) Smad1 0.0101 0.0347 0.0316
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0098 0.033 0.1369
Echinococcus granulosus insulin receptor 0.0095 0.0309 0.124
Echinococcus granulosus epidermal growth factor receptor 0.016 0.0765 0.4043
Schistosoma mansoni tyrosine kinase 0.016 0.0765 0.175
Loa Loa (eye worm) AUR protein kinase 0.0112 0.0428 0.0398
Echinococcus granulosus smad 0.0101 0.0347 0.147
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.0987 0.0408
Toxoplasma gondii aurora kinase 0.0112 0.0428 0.3356
Plasmodium falciparum ataxin-2 like protein, putative 0.0218 0.1171 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0356 0.2134 0.2337
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.1155 0.773 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0098 0.0327 0.1349
Plasmodium vivax ataxin-2 like protein, putative 0.0218 0.1171 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0279 0.1595 0.9152
Schistosoma mansoni Smad4 0.0101 0.0347 0.0636
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0086 0.0246 0.0216
Brugia malayi hypothetical protein 0.0141 0.0628 0.0599
Brugia malayi serine/threonine kinase 12 0.0112 0.0428 0.0398
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.2196 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0218 0.1171 0.533
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0086 0.0246 0.0852
Schistosoma mansoni tyrosine kinase 0.0159 0.0753 0.1718
Brugia malayi TAR-binding protein 0.0067 0.0108 0.0077
Brugia malayi RNA binding protein 0.0067 0.0108 0.0077
Leishmania major hypothetical protein, conserved 0.0356 0.2134 0.9651
Toxoplasma gondii isocitrate dehydrogenase 0.0166 0.0806 0.6739
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.1155 0.773 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0101 0.0347 0.147
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.016 0.0765 0.4043
Schistosoma mansoni hypothetical protein 0.0279 0.1595 0.3961
Brugia malayi Furin-like cysteine rich region family protein 0.0299 0.1732 0.1707
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0356 0.2134 0.2337
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.1155 0.773 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0098 0.033 0.0592
Leishmania major hypothetical protein, conserved 0.0218 0.1171 0.42
Entamoeba histolytica protein tyrosine phosphatase, putative 0.1155 0.773 1
Brugia malayi MH1 domain containing protein 0.0101 0.0347 0.0316
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.0108 0.0077
Trypanosoma cruzi aurora B kinase, putative 0.0112 0.0428 0.1948
Brugia malayi Calcitonin receptor-like protein seb-1 0.0881 0.5816 0.5803
Toxoplasma gondii LsmAD domain-containing protein 0.0218 0.1171 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0279 0.1595 0.1568
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1155 0.773 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0098 0.0327 0.1349
Giardia lamblia Aurora kinase 0.0112 0.0428 0.0132
Echinococcus granulosus GPCR family 2 0.0279 0.1595 0.9152
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0101 0.0347 0.0636
Echinococcus multilocularis mothers against decapentaplegic 5 0.0101 0.0347 0.147
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0101 0.0347 0.147
Echinococcus granulosus mothers against decapentaplegic 5 0.0101 0.0347 0.147
Loa Loa (eye worm) AUR protein kinase 0.0112 0.0428 0.0398
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.0079 0.0358
Toxoplasma gondii isocitrate dehydrogenase 0.0166 0.0806 0.6739
Brugia malayi hypothetical protein 0.0218 0.1171 0.1143
Echinococcus granulosus aurora kinase A 0.0112 0.0428 0.1971
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.0108 0.0077
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.1155 0.773 1
Schistosoma mansoni hypothetical protein 0.0279 0.1595 0.3961
Trypanosoma cruzi hypothetical protein, conserved 0.0356 0.2134 0.9719
Schistosoma mansoni smad1 5 8 and 0.0101 0.0347 0.0636
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0166 0.0806 0.4298
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0166 0.0806 0.367
Loa Loa (eye worm) isocitrate dehydrogenase 0.0166 0.0806 0.0777
Echinococcus granulosus epidermal growth factor receptor 0.0299 0.1732 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0166 0.0806 0.4298
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0166 0.0806 0.186
Brugia malayi serine/threonine-protein kinase 6 0.0112 0.0428 0.0398
Brugia malayi Smad1 0.0101 0.0347 0.0316
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0279 0.1595 0.9152
Loa Loa (eye worm) MH2 domain-containing protein 0.1479 1 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0166 0.0806 0.5091
Schistosoma mansoni hypothetical protein 0.0602 0.3862 1
Schistosoma mansoni smad1 5 8 and 0.0101 0.0347 0.0636
Onchocerca volvulus 0.1155 0.773 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0166 0.0806 0.367
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0166 0.0806 0.2138
Loa Loa (eye worm) hypothetical protein 0.0279 0.1595 0.1568
Echinococcus multilocularis epidermal growth factor receptor 0.016 0.0765 0.4043
Echinococcus multilocularis Smad4 0.0101 0.0347 0.147
Echinococcus multilocularis smad 0.0101 0.0347 0.147
Schistosoma mansoni hypothetical protein 0.0279 0.1595 0.3961
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0166 0.0806 0.367
Loa Loa (eye worm) TK/INSR protein kinase 0.0095 0.0309 0.0279
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1155 0.773 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1585 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) 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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