Detailed information for compound 1628407

Basic information

Technical information
  • TDR Targets ID: 1628407
  • Name: N-(1-phenylbutylideneamino)cyclopropanecarbox amide
  • MW: 230.306 | Formula: C14H18N2O
  • H donors: 1 H acceptors: 1 LogP: 2.68 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC/C(=N\NC(=O)C1CC1)/c1ccccc1
  • InChi: 1S/C14H18N2O/c1-2-6-13(11-7-4-3-5-8-11)15-16-14(17)12-9-10-12/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,16,17)/b15-13+
  • InChiKey: MFJGVOFUOKAJMW-FYWRMAATSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC06634694
  • MLS001178783
  • N'-(1-phenylbutylidene)cyclopropanecarbohydrazide
  • SMR000476107

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0254 0.0612 0.1285
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0662 0.4152 1
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0254 0.0612 0.1285
Toxoplasma gondii hypothetical protein 0.0183 0 0.5
Trypanosoma cruzi GAF domain/TIP41-like family, putative 0.0479 0.2566 1
Toxoplasma gondii GAF domain-containing protein 0.0183 0 0.5
Trypanosoma brucei GAF domain/TIP41-like family, putative 0.0479 0.2566 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0254 0.0612 0.1285
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0549 0.3178 0.667
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0254 0.0612 0.1285
Toxoplasma gondii hypothetical protein 0.0183 0 0.5
Toxoplasma gondii hypothetical protein 0.0183 0 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0254 0.0612 0.1285
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0254 0.0612 0.1285
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0254 0.0612 0.1285
Plasmodium falciparum GAF domain-related protein, putative 0.0183 0 0.5
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0254 0.0612 0.1285
Schistosoma mansoni microtubule-associated protein tau 0.0637 0.3935 0.354
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0254 0.0612 0.1285
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0254 0.0612 0.1285
Trypanosoma cruzi GAF domain/TIP41-like family, putative 0.0479 0.2566 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0254 0.0612 0.1285
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0254 0.0612 0.1285
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0732 0.4765 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0254 0.0612 0.1285
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0254 0.0612 0.1285
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0254 0.0612 0.1285
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0241 0.05 0.1205
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0254 0.0612 0.1285
Echinococcus multilocularis microtubule associated protein 2 0.0637 0.3935 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0254 0.0612 0.1285
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.1336 1 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0254 0.0612 0.1285
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0254 0.0612 0.1285
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0254 0.0612 0.1285
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0254 0.0612 0.1285
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0254 0.0612 0.1285
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0254 0.0612 0.1285
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0254 0.0612 0.1285
Trichomonas vaginalis conserved hypothetical protein 0.0732 0.4765 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0254 0.0612 0.1285
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0254 0.0612 0.1285
Mycobacterium leprae conserved hypothetical protein 0.0183 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0732 0.4765 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0732 0.4765 1
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0662 0.4152 1
Loa Loa (eye worm) hypothetical protein 0.1336 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0549 0.3178 0.667
Plasmodium vivax hypothetical protein, conserved 0.0183 0 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0479 0.2566 0.6179
Echinococcus granulosus microtubule associated protein 2 0.0637 0.3935 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0254 0.0612 0.1285
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0254 0.0612 0.1285
Leishmania major hypothetical protein, conserved 0.0479 0.2566 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 53 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule agonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 47.1 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule antagonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.8913 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 25.1189 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

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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