Detailed information for compound 1658711

Basic information

Technical information
  • TDR Targets ID: 1658711
  • Name: 2-(carbamoylamino)-5-(3,5-difluorophenyl)-N-[ (3S)-piperidin-3-yl]thiophene-3-carboxamide
  • MW: 380.412 | Formula: C17H18F2N4O2S
  • H donors: 4 H acceptors: 2 LogP: 2.36 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)c1cc(F)cc(c1)F
  • InChi: 1S/C17H18F2N4O2S/c18-10-4-9(5-11(19)6-10)14-7-13(16(26-14)23-17(20)25)15(24)22-12-2-1-3-21-8-12/h4-7,12,21H,1-3,8H2,(H,22,24)(H3,20,23,25)/t12-/m0/s1
  • InChiKey: GDRXUUOZSYPBPT-LBPRGKRZSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-(3,5-difluorophenyl)-N-[(3S)-3-piperidyl]-2-ureido-thiophene-3-carboxamide
  • 5-(3,5-difluorophenyl)-N-[(3S)-3-piperidinyl]-2-ureido-3-thiophenecarboxamide
  • 2-(aminocarbonylamino)-5-(3,5-difluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Echinococcus multilocularis mothers against decapentaplegic 5 0.0013 0.0052 0.0052
Schistosoma mansoni smad 0.0013 0.0052 0.0122
Schistosoma mansoni smad1 5 8 and 0.0013 0.0052 0.0122
Echinococcus granulosus Smad4 0.0013 0.0052 0.0122
Brugia malayi hypothetical protein 0.0021 0.0178 0.0134
Schistosoma mansoni smad1 5 8 and 0.0013 0.0052 0.0122
Leishmania major hypothetical protein, conserved 0.0021 0.0178 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0021 0.0178 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0185 0.274 0.9108
Brugia malayi MH2 domain containing protein 0.0185 0.274 0.2861
Echinococcus multilocularis geminin 0.0282 0.4247 0.4247
Echinococcus granulosus smad 0.0013 0.0052 0.0122
Plasmodium falciparum ataxin-2 like protein, putative 0.0021 0.0178 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0021 0.0178 0.5
Echinococcus multilocularis Cyclin dependent kinase 2 associated protein 0.0188 0.2787 0.2787
Loa Loa (eye worm) hypothetical protein 0.0021 0.0178 0.0428
Echinococcus granulosus mothers against decapentaplegic 5 0.0013 0.0052 0.0122
Echinococcus granulosus Cyclin dependent kinase 2 associated protein 0.0188 0.2787 0.6561
Schistosoma mansoni hypothetical protein 0.0282 0.4247 1
Toxoplasma gondii LsmAD domain-containing protein 0.0021 0.0178 0.5
Loa Loa (eye worm) hypothetical protein 0.0188 0.2787 0.9268
Echinococcus granulosus geminin 0.0282 0.4247 1
Echinococcus multilocularis smad 0.0013 0.0052 0.0052
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0013 0.0052 0.0052
Brugia malayi hypothetical protein 0.0013 0.0064 0.0013
Schistosoma mansoni serine/threonine protein kinase 0.0202 0.3003 0.707
Trypanosoma cruzi PAB1-binding protein , putative 0.0021 0.0178 0.5
Schistosoma mansoni deleted in oral cancer 1/cdk2-associated protein-like 0.0188 0.2787 0.6561
Brugia malayi Protein kinase domain containing protein 0.0202 0.3003 0.3141
Schistosoma mansoni smad1 5 8 and 0.0013 0.0052 0.0122
Trypanosoma cruzi PAB1-binding protein , putative 0.0021 0.0178 0.5
Echinococcus granulosus TGF beta signal transducer SmadC 0.0013 0.0052 0.0122
Brugia malayi hypothetical protein 0.0616 0.9447 1
Schistosoma mansoni hypothetical protein 0.0282 0.4247 1
Echinococcus multilocularis Smad4 0.0013 0.0052 0.0052
Loa Loa (eye worm) transcription factor SMAD2 0.0185 0.274 0.9108
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0013 0.0052 0.0122
Schistosoma mansoni Smad4 0.0013 0.0052 0.0122
Onchocerca volvulus Diphthamide biosynthesis protein 7 homolog 0.0188 0.2787 0.5
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0202 0.3003 1
Plasmodium vivax ataxin-2 like protein, putative 0.0021 0.0178 0.5

Activities

No activities found for this compound.

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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