Detailed information for compound 1421596

Basic information

Technical information
  • TDR Targets ID: 1421596
  • Name: N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]py razine-2-carboxamide
  • MW: 310.374 | Formula: C16H14N4OS
  • H donors: 1 H acceptors: 4 LogP: 2.71 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cnccn1)Nc1scc(n1)c1ccc(c(c1)C)C
  • InChi: 1S/C16H14N4OS/c1-10-3-4-12(7-11(10)2)14-9-22-16(19-14)20-15(21)13-8-17-5-6-18-13/h3-9H,1-2H3,(H,19,20,21)
  • InChiKey: GEWYTKRHKBVVAJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[4-(3,4-dimethylphenyl)thiazol-2-yl]pyrazine-2-carboxamide
  • N-[4-(3,4-dimethylphenyl)-2-thiazolyl]-2-pyrazinecarboxamide
  • N-[4-(3,4-dimethylphenyl)thiazol-2-yl]pyrazinamide
  • ZINC02640489
  • MLS000772736
  • SMR000377352
  • T5236663

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
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
Schistosoma mansoni smad1 5 8 and 0.0033 0.0173 0.0228
Entamoeba histolytica G protein alpha subunit, putative 0.0032 0.016 0.2062
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0032 0.016 0.016
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.0646 0.5
Loa Loa (eye worm) hypothetical protein 0.0078 0.0639 0.0846
Brugia malayi Latrophilin receptor protein 2 0.0062 0.0474 0.0627
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0197 0.187 0.2474
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0744 0.756 1
Brugia malayi glutaminase DH11.1 0.0266 0.2587 0.3422
Trypanosoma brucei Silent information regulator 2 related protein 3 0.0052 0.0367 0.4719
Schistosoma mansoni tar DNA-binding protein 0.0261 0.254 0.336
Brugia malayi guanine nucleotide-binding protein G-o protein alpha subunit 0.0032 0.016 0.0212
Schistosoma mansoni smad1 5 8 and 0.0033 0.0173 0.0228
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0027 0.011 0.1701
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0777 0.3005
Schistosoma mansoni Smad4 0.0033 0.0173 0.0228
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0744 0.756 0.756
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0032 0.016 0.062
Schistosoma mansoni hypothetical protein 0.0062 0.0474 0.0627
Toxoplasma gondii histone deacetylase SIR2 0.0052 0.0367 0.5682
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0744 0.756 1
Brugia malayi hypothetical protein 0.005 0.0352 0.0465
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0777 0.3005
Trichomonas vaginalis GTP-binding protein (q) alpha-11 subunit, gna11, putative 0.0032 0.016 0.062
Loa Loa (eye worm) hypothetical protein 0.0062 0.0474 0.0627
Brugia malayi MH1 domain containing protein 0.0033 0.0173 0.0228
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0033 0.0173 0.0173
Trypanosoma cruzi PAB1-binding protein , putative 0.0078 0.0639 0.8222
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0033 0.0173 0.0228
Brugia malayi RNA recognition motif domain containing protein 0.0261 0.254 0.336
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0032 0.016 0.0212
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0079 0.0646 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0744 0.756 1
Mycobacterium tuberculosis Transcriptional regulatory protein 0.0052 0.0367 1
Brugia malayi guanine nucleotide-binding protein alpha-7 subunit, putative 0.0032 0.016 0.0212
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0062 0.0474 0.0627
Schistosoma mansoni hypothetical protein 0.0062 0.0474 0.0627
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0032 0.016 0.0212
Loa Loa (eye worm) GTP-binding regulatory protein alpha chain 0.0032 0.016 0.0212
Loa Loa (eye worm) hypothetical protein 0.0018 0.0019 0.0025
Echinococcus granulosus tar DNA binding protein 0.0261 0.254 0.336
Echinococcus multilocularis smad 0.0033 0.0173 0.0173
Echinococcus granulosus peptidase Clp S14 family 0.0052 0.0364 0.0482
Echinococcus granulosus smad 0.0033 0.0173 0.0228
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0032 0.016 0.062
Brugia malayi MH1 domain containing protein 0.0018 0.0019 0.0025
Echinococcus multilocularis Smad4 0.0033 0.0173 0.0173
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0777 0.3005
Echinococcus granulosus gtp binding protein I alpha 1subunit 0.0032 0.016 0.0212
Schistosoma mansoni tar DNA-binding protein 0.0261 0.254 0.336
Echinococcus multilocularis tar DNA binding protein 0.0261 0.254 0.254
Schistosoma mansoni serine/threonine protein kinase 0.0091 0.0777 0.1028
Brugia malayi guanine nucleotide-binding protein G(o), alpha subunit, putative 0.0032 0.016 0.0212
Brugia malayi Guanine nucleotide-binding protein alpha-12 subunit, putative 0.0032 0.016 0.0212
Trichomonas vaginalis G protein (olf) alpha subunit, gnal, putative 0.0032 0.016 0.062
Trichomonas vaginalis GTP-binding protein (z) alpha subunit, gnaz, putative 0.0032 0.016 0.062
Brugia malayi MH2 domain containing protein 0.0487 0.4883 0.6459
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe 0.0052 0.0367 0.4719
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0035 0.0192 0.0192
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-6 subunit 0.0032 0.016 0.0212
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0032 0.016 0.016
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0079 0.0646 0.0646
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0777 0.3005
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0062 0.0474 0.0474
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0079 0.0646 1
Schistosoma mansoni chromatin regulatory protein sir2 0.0052 0.0367 0.0485
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0202 0.1927 1
Schistosoma mansoni glutaminase 0.0266 0.2587 0.3422
Brugia malayi Probable ClpP-like protease 0.0079 0.0646 0.0854
Brugia malayi G-protein alpha subunit 0.0032 0.016 0.0212
Loa Loa (eye worm) nuclear factor I 0.0018 0.0019 0.0025
Loa Loa (eye worm) transcription factor SMAD2 0.0487 0.4883 0.6459
Brugia malayi Guanine nucleotide-binding protein alpha-6 subunit, putative 0.0032 0.016 0.0212
Loa Loa (eye worm) G protein alpha subunit 3 0.0032 0.016 0.0212
Echinococcus multilocularis mothers against decapentaplegic 5 0.0033 0.0173 0.0173
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0777 0.3005
Schistosoma mansoni peptidase Clp (S14 family) 0.0079 0.0646 0.0854
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0032 0.016 0.0212
Loa Loa (eye worm) glutaminase 0.0266 0.2587 0.3422
Loa Loa (eye worm) hypothetical protein 0.0032 0.016 0.0212
Plasmodium vivax NAD-dependent deacetylase, putative 0.0052 0.0367 0.5682
Trypanosoma brucei PAB1-binding protein , putative 0.0078 0.0639 0.8222
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0052 0.0364 0.4744
Toxoplasma gondii LsmAD domain-containing protein 0.0078 0.0639 0.9899
Schistosoma mansoni smad1 5 8 and 0.0033 0.0173 0.0228
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0032 0.016 0.0212
Plasmodium falciparum ataxin-2 like protein, putative 0.0078 0.0639 0.9899
Loa Loa (eye worm) hypothetical protein 0.0197 0.187 0.2474
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0777 0.3005
Schistosoma mansoni trimeric G-protein alpha o subunit 0.0032 0.016 0.0212
Loa Loa (eye worm) hypothetical protein 0.0032 0.016 0.0212
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0032 0.016 0.062
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0032 0.016 0.0212
Schistosoma mansoni hypothetical protein 0.0062 0.0474 0.0627
Schistosoma mansoni GTP-binding protein alpha subunit 0.0032 0.016 0.0212
Loa Loa (eye worm) RNA binding protein 0.0261 0.254 0.336
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0027 0.011 0.1701
Giardia lamblia Transcriptional regulator, Sir2 family 0.0052 0.0367 0.4719
Echinococcus granulosus expressed protein 0.0032 0.016 0.0212
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0744 0.756 1
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0032 0.016 0.0212
Schistosoma mansoni kinase 0.0046 0.0311 0.0411
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0091 0.0777 0.1028
Echinococcus multilocularis peptidase Clp (S14 family) 0.0052 0.0364 0.0364
Trichomonas vaginalis glutaminase, putative 0.0266 0.2587 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0091 0.0777 0.1028
Trypanosoma cruzi PAB1-binding protein , putative 0.0078 0.0639 0.8222
Mycobacterium ulcerans NAD-dependent deacetylase 0.0052 0.0367 0.1418
Brugia malayi Smad1 0.0033 0.0173 0.0228
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0052 0.0367 0.4719
Entamoeba histolytica serine/threonine protein kinase, putative 0.0091 0.0777 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0062 0.0474 0.0627
Echinococcus granulosus TGF beta signal transducer SmadC 0.0033 0.0173 0.0228
Toxoplasma gondii hypothetical protein 0.0027 0.011 0.1701
Echinococcus granulosus GPCR family 2 0.0062 0.0474 0.0627
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0032 0.016 0.0212
Trichomonas vaginalis CAMK family protein kinase 0.0045 0.0298 0.1152
Schistosoma mansoni hypothetical protein 0.0134 0.1224 0.1619
Giardia lamblia Kinase, PLK 0.0091 0.0777 1
Schistosoma mansoni GTP-binding protein alpha subunit 0.0032 0.016 0.0212
Brugia malayi MH1 domain containing protein 0.0018 0.0019 0.0025
Echinococcus granulosus mothers against decapentaplegic 5 0.0033 0.0173 0.0228
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0744 0.756 1
Echinococcus multilocularis GPCR, family 2 0.0062 0.0474 0.0474
Echinococcus multilocularis gtp binding protein (I) alpha 1subunit 0.0032 0.016 0.016
Trypanosoma cruzi polo-like protein kinase, putative 0.0091 0.0777 1
Brugia malayi MH2 domain containing protein 0.0033 0.0173 0.0228
Loa Loa (eye worm) hypothetical protein 0.0134 0.1224 0.1619
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0744 0.756 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0062 0.0474 0.0627
Trichomonas vaginalis CAMK family protein kinase 0.0045 0.0298 0.1152
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0079 0.0646 0.5
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0032 0.016 0.0212
Schistosoma mansoni tar DNA-binding protein 0.0261 0.254 0.336
Schistosoma mansoni tar DNA-binding protein 0.0261 0.254 0.336
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.0646 0.2496
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0052 0.0367 0.1418
Brugia malayi TAR-binding protein 0.0261 0.254 0.336
Onchocerca volvulus Serine\/threonine kinase homolog 0.0091 0.0777 0.3493
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0032 0.016 0.0212
Plasmodium falciparum ataxin-2 like protein, putative 0.0078 0.0639 0.9899
Loa Loa (eye worm) MH2 domain-containing protein 0.0033 0.0173 0.0228
Brugia malayi hypothetical protein 0.0078 0.0639 0.0846
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0032 0.016 0.0212
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0052 0.0367 0.5682
Loa Loa (eye worm) TAR-binding protein 0.0261 0.254 0.336
Brugia malayi N-terminal motif family protein 0.0202 0.1927 0.2549
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0032 0.016 0.016
Brugia malayi MH2 domain containing protein 0.0033 0.0173 0.0228
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0052 0.0367 0.4719
Mycobacterium ulcerans glutaminase 0.0266 0.2587 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.016 0.0212
Loa Loa (eye worm) hypothetical protein 0.0079 0.0646 0.0854
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0777 0.3005
Loa Loa (eye worm) Smad1 0.0033 0.0173 0.0228
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0197 0.187 0.2474
Loa Loa (eye worm) hypothetical protein 0.0032 0.016 0.0212
Loa Loa (eye worm) heterotrimeric G protein alpha subunit 0.0032 0.016 0.0212
Loa Loa (eye worm) MH2 domain-containing protein 0.0487 0.4883 0.6459
Brugia malayi MH1 domain containing protein 0.0033 0.0173 0.0228
Loa Loa (eye worm) latrophilin receptor protein 2 0.0062 0.0474 0.0627
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0032 0.016 0.0212
Trypanosoma cruzi polo-like protein kinase, putative 0.0091 0.0777 1
Trichomonas vaginalis GTP-binding protein (O) alpha subunit, gnao, putative 0.0032 0.016 0.062
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.0646 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.016 0.0212
Trypanosoma brucei polo-like protein kinase 0.0091 0.0777 1
Brugia malayi hypothetical protein 0.0032 0.016 0.0212
Echinococcus multilocularis expressed protein 0.0032 0.016 0.016
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0032 0.016 0.0212
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0032 0.016 0.0212
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0744 0.756 0.756
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0032 0.016 0.0212
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0079 0.0646 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0079 0.0646 1
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0032 0.016 0.016
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0744 0.756 1
Brugia malayi RNA binding protein 0.0261 0.254 0.336
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0035 0.0192 0.0254
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.0646 1
Brugia malayi guanine nucleotide-binding protein alpha-3 subunit, putative 0.0032 0.016 0.0212
Loa Loa (eye worm) hypothetical protein 0.0202 0.1927 0.2549
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.0646 0.2496
Brugia malayi GTP-binding regulatory protein alpha chain - starfish, putative 0.0032 0.016 0.0212
Brugia malayi Calcitonin receptor-like protein seb-1 0.0197 0.187 0.2474
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0032 0.016 0.062
Echinococcus granulosus Smad4 0.0033 0.0173 0.0228
Loa Loa (eye worm) MH1 domain-containing protein 0.0033 0.0173 0.0228
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0052 0.0367 0.1418
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0091 0.0777 1
Loa Loa (eye worm) glutaminase 2 0.0266 0.2587 0.3422
Schistosoma mansoni hypothetical protein 0.0035 0.0192 0.0254
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0052 0.0367 0.1418
Schistosoma mansoni tar DNA-binding protein 0.0261 0.254 0.336
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0079 0.0646 0.0854
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-12 subunit 0.0032 0.016 0.0212
Plasmodium vivax ataxin-2 like protein, putative 0.0078 0.0639 0.9899
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0062 0.0474 0.0474
Schistosoma mansoni smad 0.0033 0.0173 0.0228
Leishmania major hypothetical protein, conserved 0.0078 0.0639 0.8222
Brugia malayi latrophilin 2 splice variant baaae 0.0134 0.1224 0.1619
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0091 0.0777 0.0777
Mycobacterium leprae Probable NAD-dependent deacetylase NpdA (Regulatory protein SIR2 homolog) 0.0035 0.0195 0.1591
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.0646 0.5
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0032 0.016 0.0212
Brugia malayi serine/threonine-protein kinase plk-2 0.0091 0.0777 0.1028
Schistosoma mansoni hypothetical protein 0.0062 0.0474 0.0627
Schistosoma mansoni GTP-binding protein (I) alpha subunit gnai 0.0032 0.016 0.0212
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0261 0.254 0.336
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0052 0.0367 0.4719

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.2387 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.575 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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