Detailed information for compound 1200273

Basic information

Technical information
  • TDR Targets ID: 1200273
  • Name: N-ethyl-4-pyrimidin-2-ylpiperazine-1-carbothi oamide
  • MW: 251.351 | Formula: C11H17N5S
  • H donors: 0 H acceptors: 2 LogP: 0.99 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN=C(N1CCN(CC1)c1ncccn1)S
  • InChi: 1S/C11H17N5S/c1-2-12-11(17)16-8-6-15(7-9-16)10-13-4-3-5-14-10/h3-5H,2,6-9H2,1H3,(H,12,17)
  • InChiKey: HAGQTFSRRSIESJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-ethyl-4-pyrimidin-2-yl-piperazine-1-carbothioamide
  • N-ethyl-4-(2-pyrimidinyl)-1-piperazinecarbothioamide
  • SMR000261350
  • T0514-9444
  • ZINC03286323
  • Oprea1_303814
  • MLS000392426

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 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
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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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
Echinococcus granulosus guanine nucleotide binding protein Gs 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 japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
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 TAR-binding protein 0.0121 0.3338 0.6747
Trypanosoma brucei DNA polymerase IV, putative 0.0018 0.0191 0.232
Schistosoma mansoni sex comb on midleg homolog 0.0045 0.1021 0.1021
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0045 0.1021 0.1021
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0773 0.1562
Loa Loa (eye worm) hypothetical protein 0.0037 0.0773 0.1562
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0183 0.5262 0.5262
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0191 0.232
Schistosoma mansoni tar DNA-binding protein 0.0121 0.3338 0.3338
Schistosoma mansoni tar DNA-binding protein 0.0121 0.3338 0.3338
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0018 0.0191 0.0386
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.2425 0.4902
Brugia malayi N-terminal motif family protein 0.0172 0.4922 0.9948
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0773 1
Schistosoma mansoni hypothetical protein 0.0015 0.0087 0.0087
Loa Loa (eye worm) hypothetical protein 0.0037 0.0773 0.1562
Brugia malayi ImpB/MucB/SamB family protein 0.0018 0.0191 0.0386
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0087 0.0087
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.2425 0.2425
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0773 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0625 0.1262
Brugia malayi beta-lactamase family protein 0.0037 0.0773 0.1562
Echinococcus multilocularis GPCR, family 2 0.0015 0.0087 0.0087
Trichomonas vaginalis esterase, putative 0.0037 0.0773 1
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0773 0.0859
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0773 1
Schistosoma mansoni ap endonuclease 0.0022 0.0287 0.0287
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0045 0.1021 0.2064
Schistosoma mansoni ap endonuclease 0.0022 0.0287 0.0287
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0287 0.0287
Echinococcus multilocularis dna polymerase kappa 0.0018 0.0191 0.0191
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.0287 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.2425 0.2425
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0625 0.1262
Echinococcus granulosus histone acetyltransferase MYST2 0.0052 0.1215 0.1215
Schistosoma mansoni tar DNA-binding protein 0.0121 0.3338 0.3338
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0238 0.6959 1
Loa Loa (eye worm) hypothetical protein 0.0172 0.4922 0.9948
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0087 0.0087
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.2425 0.2425
Loa Loa (eye worm) MBCTL1 0.0052 0.1215 0.2455
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0287 0.1654
Mycobacterium ulcerans beta-lactamase 0.0037 0.0773 1
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0773 1
Toxoplasma gondii ABC1 family protein 0.0037 0.0773 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.1021 0.2064
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0773 0.0859
Schistosoma mansoni hypothetical protein 0.0337 1 1
Echinococcus granulosus GPCR family 2 0.0015 0.0087 0.0087
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0287 0.0287
Brugia malayi ImpB/MucB/SamB family protein 0.0018 0.0191 0.0386
Mycobacterium tuberculosis Conserved protein 0.0037 0.0773 0.0859
Schistosoma mansoni hypothetical protein 0.0015 0.0087 0.0087
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0052 0.1215 0.2455
Brugia malayi RNA binding protein 0.0121 0.3338 0.6747
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0087 0.0177
Schistosoma mansoni hypothetical protein 0.0015 0.0087 0.0087
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.0287 0.0142
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.2425 0.2425
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0773 0.0773
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0773 0.0773
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.2425 0.2425
Mycobacterium tuberculosis Conserved protein 0.0037 0.0773 0.0859
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0191 0.232
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0018 0.0191 0.0191
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0191 0.232
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0773 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0773 0.1562
Onchocerca volvulus 0.0037 0.0773 0.1562
Schistosoma mansoni hypothetical protein 0.0033 0.0625 0.0625
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.0287 0.5
Schistosoma mansoni hypothetical protein 0.0015 0.0087 0.0087
Schistosoma mansoni terminal deoxycytidyl transferase 0.0018 0.0191 0.0191
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.2425 0.2425
Echinococcus multilocularis dna polymerase eta 0.0018 0.0191 0.0191
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0191 0.232
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0052 0.1215 0.1215
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.0287 0.1654
Mycobacterium tuberculosis Conserved protein 0.0037 0.0773 0.0859
Loa Loa (eye worm) RNA binding protein 0.0121 0.3338 0.6747
Echinococcus multilocularis geminin 0.0337 1 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0287 0.058
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.0287 0.1654
Schistosoma mansoni myelin transcription factor 1 myt1 0.0052 0.1215 0.1215
Loa Loa (eye worm) TAR-binding protein 0.0121 0.3338 0.6747
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.0287 0.1654
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0191 0.232
Schistosoma mansoni sex comb on midleg homolog 0.0045 0.1021 0.1021
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0773 0.0859
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.0287 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0191 0.232
Schistosoma mansoni hypothetical protein 0.0337 1 1
Loa Loa (eye worm) mbt repeat family protein 0.0045 0.1021 0.2064
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0087 0.0177
Echinococcus multilocularis polycomb protein SCMH1 0.0045 0.1021 0.1021
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0773 1
Schistosoma mansoni DNA polymerase eta 0.0018 0.0191 0.0191
Brugia malayi mbt repeat family protein 0.0045 0.1021 0.2064
Schistosoma mansoni tar DNA-binding protein 0.0121 0.3338 0.3338
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0183 0.5262 0.5262
Brugia malayi RNA recognition motif domain containing protein 0.0121 0.3338 0.6747
Loa Loa (eye worm) hypothetical protein 0.0015 0.0087 0.0177
Mycobacterium ulcerans lipase LipD 0.0037 0.0773 1
Brugia malayi beta-lactamase 0.0037 0.0773 0.1562
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0018 0.0191 0.0191
Loa Loa (eye worm) hypothetical protein 0.0048 0.1087 0.2198
Trypanosoma brucei unspecified product 0.0018 0.0191 0.232
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0773 1
Trypanosoma brucei DNA polymerase eta, putative 0.0018 0.0191 0.232
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0773 0.0773
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0121 0.3338 0.6747
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0191 0.232
Echinococcus multilocularis SAM and MBT domain containing protein 0.0045 0.1021 0.1021
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.1087 0.2198
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.0287 0.1654
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0087 0.0087
Echinococcus multilocularis tar DNA binding protein 0.0121 0.3338 0.3338
Schistosoma mansoni tar DNA-binding protein 0.0121 0.3338 0.3338
Loa Loa (eye worm) hypothetical protein 0.0037 0.0773 0.1562
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0052 0.1215 0.1215
Echinococcus granulosus polycomb protein SCMH1 0.0045 0.1021 0.1021
Loa Loa (eye worm) hypothetical protein 0.0037 0.0773 0.1562
Loa Loa (eye worm) hypothetical protein 0.0173 0.4948 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0773 0.0773
Echinococcus granulosus tar DNA binding protein 0.0121 0.3338 0.3338
Mycobacterium ulcerans hypothetical protein 0.0037 0.0773 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0287 0.5
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0018 0.0191 0.0191
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0172 0.4922 0.9948
Echinococcus granulosus dna polymerase kappa 0.0018 0.0191 0.0191
Leishmania major hypothetical protein, conserved 0.0037 0.0773 1
Onchocerca volvulus 0.0173 0.4948 1
Schistosoma mansoni hypothetical protein 0.028 0.8249 0.8249
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.1087 0.2198
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.1087 0.2198
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0773 0.0859
Brugia malayi beta-lactamase family protein 0.0037 0.0773 0.1562
Loa Loa (eye worm) hypothetical protein 0.0037 0.0773 0.1562
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0773 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0052 0.1215 0.1215
Onchocerca volvulus 0.0037 0.0773 0.1562
Mycobacterium leprae Probable lipase LipE 0.0037 0.0773 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0018 0.0191 0.232
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0287 0.1654
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0191 0.232
Echinococcus granulosus dna polymerase eta 0.0018 0.0191 0.0191
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.2425 0.4902
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0773 1
Brugia malayi hypothetical protein 0.0173 0.4948 1
Brugia malayi mbt repeat family protein 0.0045 0.1021 0.2064
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.0287 0.359
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0087 0.0177
Onchocerca volvulus 0.0037 0.0773 0.1562
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0087 0.0087
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0773 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0773 0.0859
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0287 0.058
Loa Loa (eye worm) beta-lactamase 0.0037 0.0773 0.1562
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0773 0.0859
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0191 0.232
Trypanosoma brucei DNA polymerase IV, putative 0.0018 0.0191 0.232
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0773 0.0859
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0773 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0191 0.0386
Echinococcus granulosus SAM and MBT domain containing protein 0.0045 0.1021 0.1021
Onchocerca volvulus 0.0045 0.1021 0.2064
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0773 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0191 0.232
Loa Loa (eye worm) hypothetical protein 0.0052 0.1215 0.2455
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.0287 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.2425 0.2425
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0773 0.1562

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 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) 25.929 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) 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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