Detailed information for compound 647274

Basic information

Technical information
  • TDR Targets ID: 647274
  • Name: (Z)-3-[1-(3-chlorophenyl)-2,5-dimethylpyrrol- 3-yl]-2-cyano-N-(3-ethoxyphenyl)prop-2-enamid e
  • MW: 419.903 | Formula: C24H22ClN3O2
  • H donors: 1 H acceptors: 2 LogP: 5.83 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cccc(c1)NC(=O)/C(=C/c1cc(n(c1C)c1cccc(c1)Cl)C)/C#N
  • InChi: 1S/C24H22ClN3O2/c1-4-30-23-10-6-8-21(14-23)27-24(29)19(15-26)12-18-11-16(2)28(17(18)3)22-9-5-7-20(25)13-22/h5-14H,4H2,1-3H3,(H,27,29)/b19-12-
  • InChiKey: SBXMYXZKLNFHDE-UNOMPAQXSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (Z)-3-[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-(3-ethoxyphenyl)prop-2-enamide
  • (Z)-3-[1-(3-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-cyano-N-(3-ethoxyphenyl)prop-2-enamide
  • (Z)-3-[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-(3-ethoxyphenyl)acrylamide
  • STK186479
  • ZINC04711306

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
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.1794 0.1794
Schistosoma mansoni tar DNA-binding protein 0.013 0.5438 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.1169 0.1799
Schistosoma mansoni tar DNA-binding protein 0.013 0.5438 1
Onchocerca volvulus 0.0036 0.1169 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0256 0.0394
Onchocerca volvulus 0.0036 0.1169 1
Loa Loa (eye worm) TAR-binding protein 0.013 0.5438 0.5438
Echinococcus multilocularis tar DNA binding protein 0.013 0.5438 0.8367
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0076 0.2981 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0076 0.2981 1
Echinococcus granulosus muscleblind protein 0.0154 0.65 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.1169 0.1169
Loa Loa (eye worm) hypothetical protein 0.0036 0.1169 0.1169
Schistosoma mansoni hypothetical protein 0.0016 0.0256 0.047
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0068 0.2621 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0256 0.0256
Brugia malayi Muscleblind-like protein 0.0154 0.65 0.65
Loa Loa (eye worm) RNA binding protein 0.013 0.5438 0.5438
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.1169 0.1169
Brugia malayi RNA binding protein 0.013 0.5438 0.5438
Brugia malayi beta-lactamase family protein 0.0036 0.1169 0.1169
Trichomonas vaginalis inositol monophosphatase, putative 0.0076 0.2981 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.2981 1
Brugia malayi RNA recognition motif domain containing protein 0.013 0.5438 0.5438
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0256 0.0256
Schistosoma mansoni tar DNA-binding protein 0.013 0.5438 1
Echinococcus granulosus GPCR family 2 0.0016 0.0256 0.0394
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.1169 0.1169
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0256 0.0394
Brugia malayi beta-lactamase family protein 0.0036 0.1169 0.1169
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.1082 0.1082
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0256 0.0394
Loa Loa (eye worm) hypothetical protein 0.0036 0.1169 0.1169
Loa Loa (eye worm) hypothetical protein 0.0154 0.65 0.65
Loa Loa (eye worm) beta-lactamase 0.0036 0.1169 0.1169
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0231 1 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0076 0.2981 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.2981 1
Schistosoma mansoni hypothetical protein 0.0016 0.0256 0.047
Brugia malayi beta-lactamase 0.0036 0.1169 0.1169
Loa Loa (eye worm) hypothetical protein 0.0036 0.1169 0.1169
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.1169 0.1799
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0076 0.2981 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0076 0.2981 0.5
Brugia malayi TAR-binding protein 0.013 0.5438 0.5438
Echinococcus granulosus inositol monophosphatase 1 0.0076 0.2981 0.4586
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.1794 0.1794
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0256 0.0256
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0076 0.2981 1
Onchocerca volvulus 0.0036 0.1169 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.023 0.9928 1
Schistosoma mansoni tar DNA-binding protein 0.013 0.5438 1
Loa Loa (eye worm) inositol-1 0.0076 0.2981 0.2981
Echinococcus multilocularis GPCR, family 2 0.0016 0.0256 0.0394
Brugia malayi Inositol-1 0.0076 0.2981 0.2981
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0068 0.2621 0.1657
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.1169 0.215
Echinococcus multilocularis muscleblind protein 0.0154 0.65 1
Echinococcus multilocularis inositol monophosphatase 1 0.0076 0.2981 0.4586
Schistosoma mansoni hypothetical protein 0.0016 0.0256 0.047
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.2981 1
Echinococcus multilocularis muscleblind protein 1 0.0154 0.65 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.1794 0.1794
Echinococcus granulosus tar DNA binding protein 0.013 0.5438 0.8367
Loa Loa (eye worm) hypothetical protein 0.0036 0.1169 0.1169
Loa Loa (eye worm) hypothetical protein 0.0036 0.1169 0.1169
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.013 0.5438 0.5438
Loa Loa (eye worm) hypothetical protein 0.0016 0.0256 0.0256
Schistosoma mansoni tar DNA-binding protein 0.013 0.5438 1
Plasmodium vivax hypothetical protein, conserved 0.0036 0.1169 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.2981 1
Schistosoma mansoni hypothetical protein 0.0016 0.0256 0.047
Schistosoma mansoni inositol monophosphatase 0.0076 0.2981 0.5481
Loa Loa (eye worm) hypothetical protein 0.0034 0.1082 0.1082
Schistosoma mansoni hypothetical protein 0.0034 0.1082 0.199
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.1169 0.215
Loa Loa (eye worm) hypothetical protein 0.005 0.1794 0.1794
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0256 0.0394
Loa Loa (eye worm) hypothetical protein 0.0154 0.65 0.65
Schistosoma mansoni inositol monophosphatase 0.0076 0.2981 0.5481

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.