Detailed information for compound 1300492

Basic information

Technical information
  • TDR Targets ID: 1300492
  • Name: 2-ethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl] piperidine-1-carbothioamide
  • MW: 405.538 | Formula: C18H23N5O2S2
  • H donors: 1 H acceptors: 4 LogP: 3.09 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC1CCCCN1C(=Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1)S
  • InChi: 1S/C18H23N5O2S2/c1-2-15-6-3-4-13-23(15)18(26)21-14-7-9-16(10-8-14)27(24,25)22-17-19-11-5-12-20-17/h5,7-12,15H,2-4,6,13H2,1H3,(H,21,26)(H,19,20,22)
  • InChiKey: SPCUJPKUENIBDG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-ethyl-N-[4-(2-pyrimidinylsulfamoyl)phenyl]-1-piperidinecarbothioamide
  • IVK/1275552

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein 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
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) 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
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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 mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Echinococcus multilocularis bloom syndrome protein 0.0022 0.1745 0.0776
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0022 0.1745 0.0776
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0066 0.0000000014209
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0022 0.1745 1
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.6755 0.6374
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.6755 0.6374
Treponema pallidum ATP-dependent DNA helicase 0.0011 0.0066 0.5
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0022 0.1745 0.0776
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.6755 0.6733
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0022 0.1745 1
Trichomonas vaginalis DNA helicase recq1, putative 0.0022 0.1745 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.6755 0.6374
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.105 0.6021
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0018 0.105 1
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0022 0.1745 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 0.105 0.105
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.6755 0.6374
Schistosoma mansoni DNA helicase recq1 0.0022 0.1745 0.1745
Trichomonas vaginalis DNA helicase recq, putative 0.0022 0.1745 0.5
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0022 0.1745 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0022 0.1745 1
Loa Loa (eye worm) TAR-binding protein 0.0076 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.6755 0.6374
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0022 0.1745 0.0776
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0022 0.1745 0.0776
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0022 0.1745 0.0776
Brugia malayi TAR-binding protein 0.0076 1 1
Trichomonas vaginalis DNA helicase recq, putative 0.0022 0.1745 0.5
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0022 0.1745 0.0776
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0011 0.0066 0.0632
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0018 0.105 0.5
Loa Loa (eye worm) RNA binding protein 0.0076 1 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.105 0.5863
Schistosoma mansoni DNA helicase recq5 0.0022 0.1745 0.1745
Loa Loa (eye worm) hypothetical protein 0.0022 0.1745 0.169
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0066 0.0381
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0022 0.1745 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.6755 0.6755
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0022 0.1745 0.169
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0022 0.1745 1
Loa Loa (eye worm) RecQ helicase 0.0022 0.1745 0.169
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.6755 0.6755
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.6755 0.6755
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0018 0.105 0.5863
Schistosoma mansoni blooms syndrome DNA helicase 0.0011 0.0066 0.0066
Echinococcus granulosus tar DNA binding protein 0.0076 1 1
Giardia lamblia Sgs1 DNA helicase, putative 0.0022 0.1745 0.5
Entamoeba histolytica recQ family DNA helicase 0.0011 0.0066 0.0381
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.105 0.6021
Brugia malayi RNA recognition motif domain containing protein 0.0076 1 1
Echinococcus multilocularis tar DNA binding protein 0.0076 1 1
Echinococcus granulosus bloom syndrome protein 0.0022 0.1745 0.0776
Brugia malayi Bloom's syndrome protein homolog 0.0022 0.1745 0.0776
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 0.105 0.0991
Entamoeba histolytica recQ family helicase, putative 0.0022 0.1745 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] 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) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

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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