Detailed information for compound 351620

Basic information

Technical information
  • TDR Targets ID: 351620
  • Name: N-[5-(butanoylamino)-2-chlorophenyl]-1-benzof uran-2-carboxamide
  • MW: 356.803 | Formula: C19H17ClN2O3
  • H donors: 2 H acceptors: 2 LogP: 4.13 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC(=O)Nc1ccc(c(c1)NC(=O)c1cc2c(o1)cccc2)Cl
  • InChi: 1S/C19H17ClN2O3/c1-2-5-18(23)21-13-8-9-14(20)15(11-13)22-19(24)17-10-12-6-3-4-7-16(12)25-17/h3-4,6-11H,2,5H2,1H3,(H,21,23)(H,22,24)
  • InChiKey: LWAJFMDKQSJQLO-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[5-(butanoylamino)-2-chloro-phenyl]benzofuran-2-carboxamide
  • N-[2-chloro-5-(1-oxobutylamino)phenyl]-2-benzofurancarboxamide
  • N-[5-(butanoylamino)-2-chloro-phenyl]-1-benzofuran-2-carboxamide
  • N-(5-butyramido-2-chloro-phenyl)coumarilamide
  • N-(5-butyramido-2-chloro-phenyl)benzofuran-2-carboxamide
  • Oprea1_155280
  • BAS 06177640
  • Benzofuran-2-carboxylic acid (5-butyrylamino-2-chloro-phenyl)-amide
  • ZINC00798601

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
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0192 0.2636 1
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0097 0.0978 0.3712
Schistosoma mansoni hypothetical protein 0.005 0.0163 0.062
Schistosoma mansoni hypothetical protein 0.005 0.0163 0.062
Loa Loa (eye worm) hypothetical protein 0.0145 0.1821 0.1821
Loa Loa (eye worm) hypothetical protein 0.0095 0.0948 0.0948
Mycobacterium leprae probable zinc metalloprotease 0.0192 0.2636 0.5
Loa Loa (eye worm) hypothetical protein 0.0142 0.1763 0.1763
Schistosoma mansoni hypothetical protein 0.005 0.0163 0.062
Brugia malayi jmjC domain containing protein 0.011 0.1211 0.1211
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0613 1 1
Schistosoma mansoni jumonji domain containing protein 0.0087 0.0816 0.3096
Echinococcus granulosus jumonji domain containing protein 0.0047 0.0106 0.0403
Loa Loa (eye worm) hypothetical protein 0.0142 0.1763 0.1763
Loa Loa (eye worm) hypothetical protein 0.0145 0.1821 0.1821
Loa Loa (eye worm) hypothetical protein 0.0145 0.1821 0.1821
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.005 0.0163 0.062
Schistosoma mansoni neprilysin 0.005 0.0163 0.062
Loa Loa (eye worm) hypothetical protein 0.0192 0.2636 0.2636
Loa Loa (eye worm) jmjC domain-containing protein 0.0069 0.0501 0.0501
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0097 0.0978 0.3712
Brugia malayi peptidase family M13 containing protein 0.0047 0.0105 0.0105
Loa Loa (eye worm) hypothetical protein 0.0142 0.1763 0.1763
Loa Loa (eye worm) hypothetical protein 0.0192 0.2636 0.2636
Echinococcus granulosus endothelin converting enzyme 1 0.0192 0.2636 1
Mycobacterium ulcerans zinc metalloprotease 0.0192 0.2636 0.5
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0047 0.0105 0.0399
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0192 0.2636 0.5
Loa Loa (eye worm) zinc metallopeptidase 4 0.0047 0.0105 0.0105
Toxoplasma gondii peptidase family M13 protein 0.0192 0.2636 0.5
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0192 0.2636 0.2636
Loa Loa (eye worm) hypothetical protein 0.0174 0.2329 0.2329
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0047 0.0105 0.0399
Schistosoma mansoni hypothetical protein 0.005 0.0163 0.062
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.011 0.1211 0.4593
Onchocerca volvulus 0.0174 0.2329 1
Loa Loa (eye worm) peptidase family M13 containing protein 0.0142 0.1763 0.1763
Loa Loa (eye worm) hypothetical protein 0.0192 0.2636 0.2636
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0097 0.0978 0.3712
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0047 0.0105 0.0399
Loa Loa (eye worm) hypothetical protein 0.0145 0.1821 0.1821
Schistosoma mansoni endothelin-converting enzyme-related 0.0047 0.0105 0.0399
Brugia malayi hypothetical protein 0.0174 0.2329 0.2329
Loa Loa (eye worm) hypothetical protein 0.0142 0.1763 0.1763
Echinococcus multilocularis endothelin converting enzyme 1 0.0192 0.2636 1
Schistosoma mansoni neprilysin-2 (M13 family) 0.0097 0.0978 0.3712
Schistosoma mansoni endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase) 0.0047 0.0105 0.0399
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0097 0.0978 0.3712
Schistosoma mansoni hypothetical protein 0.005 0.0163 0.062
Loa Loa (eye worm) hypothetical protein 0.0058 0.0295 0.0295
Loa Loa (eye worm) hypothetical protein 0.0145 0.1821 0.1821
Echinococcus multilocularis jumonji domain containing protein 0.0047 0.0106 0.0403
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.011 0.1211 0.4593
Loa Loa (eye worm) peptidase family M13 containing protein 0.0142 0.1763 0.1763
Brugia malayi Peptidase family M13 containing protein 0.0192 0.2636 0.2636
Schistosoma mansoni hypothetical protein 0.005 0.0163 0.062
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0047 0.0105 0.0399
Loa Loa (eye worm) hypothetical protein 0.0145 0.1821 0.1821

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 uM Inhibition of 15-hLO ChEMBL. 16480270
IC50 (binding) > 100 uM Inhibition of 15-hLO ChEMBL. 16480270
IC50 (binding) > 200 uM Inhibition of 12-hLO ChEMBL. 16480270
IC50 (binding) > 200 uM Inhibition of 12-hLO ChEMBL. 16480270

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

1 literature reference was collected for this gene.

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