Detailed information for compound 1542232

Basic information

Technical information
  • TDR Targets ID: 1542232
  • Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[met hyl-(4-methylphenyl)sulfonylamino]acetamide
  • MW: 378.489 | Formula: C18H26N4O3S
  • H donors: 1 H acceptors: 4 LogP: 1.88 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN(S(=O)(=O)c1ccc(cc1)C)C)NCCCn1nc(cc1C)C
  • InChi: 1S/C18H26N4O3S/c1-14-6-8-17(9-7-14)26(24,25)21(4)13-18(23)19-10-5-11-22-16(3)12-15(2)20-22/h6-9,12H,5,10-11,13H2,1-4H3,(H,19,23)
  • InChiKey: UUDNRAMZNJCMCD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonyl-amino]acetamide
  • N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
  • N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanamide
  • ZINC06558121
  • T5360623

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi latrophilin 2 splice variant baaae 0.0104 0.3519 0.3519
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0926 0.5
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0723 0.0723
Onchocerca volvulus 0.0234 1 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.2903 0.2797
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0147 0.5666 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0723 0.0723
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0926 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0926 0.5
Loa Loa (eye worm) hypothetical protein 0.0153 0.5928 0.5611
Mycobacterium ulcerans hypothetical protein 0.0147 0.5666 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.8518 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0926 0.0219
Schistosoma mansoni hypothetical protein 0.0104 0.3519 0.3587
Schistosoma mansoni hypothetical protein 0.0205 0.8518 1
Toxoplasma gondii LsmAD domain-containing protein 0.0052 0.0926 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.2903 0.2797
Mycobacterium tuberculosis Probable aminotransferase 0.0147 0.5666 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0052 0.0926 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.2903 0.2797
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0153 0.5928 0.5928
Brugia malayi hypothetical protein 0.0052 0.0926 0.0926
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.2903 0.2797
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0147 0.5666 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0926 0.5
Loa Loa (eye worm) pax transcription factor protein 2 0.0234 1 1
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0147 0.5666 0.5
Leishmania major hypothetical protein, conserved 0.0052 0.0926 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0092 0.2903 0.2903
Loa Loa (eye worm) hypothetical protein 0.0104 0.3519 0.3014
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.2903 0.2797
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.2903 0.2797
Brugia malayi Calcitonin receptor-like protein seb-1 0.0153 0.5928 0.5928
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0147 0.5666 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.2903 0.2797
Echinococcus multilocularis geminin 0.0205 0.8518 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0153 0.5928 0.5611
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0092 0.2903 0.235
Trypanosoma brucei PAB1-binding protein , putative 0.0052 0.0926 0.5
Echinococcus granulosus geminin 0.0205 0.8518 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 18.3564 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) 35.4813 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) 89.1251 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) 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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