Detailed information for compound 973838

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 510.327 | Formula: C23H19IN4O2
  • H donors: 2 H acceptors: 2 LogP: 4.08 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: Ic1cccc(c1)NC(=O)N[C@H]1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2
  • InChi: 1S/C23H19IN4O2/c1-28-19-13-6-5-12-18(19)20(15-8-3-2-4-9-15)26-21(22(28)29)27-23(30)25-17-11-7-10-16(24)14-17/h2-14,21H,1H3,(H2,25,27,30)/t21-/m1/s1
  • InChiKey: VLKJKVMACAESPP-OAQYLSRUSA-N  

Network

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Synonyms

No synonyms found for this compound

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 granulosus protein jagged 2 0.0522 0.2247 0.033
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0522 0.2247 0.2247
Echinococcus multilocularis protein jagged 1 0.0522 0.2247 0.033
Echinococcus granulosus peroxidasin 0.1616 1 1
Brugia malayi EGF-like domain containing protein 0.0522 0.2247 0.2247
Echinococcus multilocularis protein jagged 2 0.0522 0.2247 0.033
Echinococcus multilocularis protein jagged 1 0.0522 0.2247 0.033
Echinococcus granulosus neurogenic locus notch protein 4 0.0522 0.2247 0.033
Schistosoma mansoni cell polarity protein 0.0522 0.2247 0.2247
Echinococcus multilocularis neural cadherin 0.0522 0.2247 0.033
Schistosoma mansoni slit 0.0522 0.2247 0.2247
Onchocerca volvulus 0.1616 1 1
Echinococcus granulosus neurogenic locus notch protein 0.0522 0.2247 0.033
Echinococcus multilocularis fat cadherin tumor suppressor 0.0522 0.2247 0.033
Loa Loa (eye worm) hypothetical protein 0.0522 0.2247 0.2247
Onchocerca volvulus Peroxidase homolog 0.1616 1 1
Loa Loa (eye worm) hypothetical protein 0.1616 1 1
Echinococcus multilocularis neurogenic locus notch protein 4 0.0522 0.2247 0.033
Echinococcus multilocularis peroxidasin 0.1616 1 1
Echinococcus granulosus protein jagged 1 0.0522 0.2247 0.033
Loa Loa (eye worm) hypothetical protein 0.1616 1 1
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0522 0.2247 0.2247
Loa Loa (eye worm) notch protein 0.0522 0.2247 0.2247
Loa Loa (eye worm) hypothetical protein 0.0522 0.2247 0.2247
Loa Loa (eye worm) hypothetical protein 0.0522 0.2247 0.2247
Echinococcus granulosus fibropellin Ia 0.0522 0.2247 0.033
Echinococcus granulosus protein jagged 1 0.0522 0.2247 0.033
Echinococcus multilocularis neurogenic locus protein delta 0.0522 0.2247 0.033
Onchocerca volvulus 0.1616 1 1
Onchocerca volvulus Neurogenic locus notch homolog 0.0522 0.2247 0.2247
Brugia malayi Calcium binding EGF domain containing protein 0.0522 0.2247 0.2247
Loa Loa (eye worm) animal heme peroxidase 0.1616 1 1
Brugia malayi EGF-like domain containing protein 0.0522 0.2247 0.2247
Echinococcus granulosus neural cadherin 0.0522 0.2247 0.033
Loa Loa (eye worm) hypothetical protein 0.1616 1 1
Echinococcus granulosus notch 0.0522 0.2247 0.033
Echinococcus granulosus neurogenic locus notch protein 0.0522 0.2247 0.033
Giardia lamblia High cysteine protein 0.0522 0.2247 0.5
Loa Loa (eye worm) hypothetical protein 0.1616 1 1
Loa Loa (eye worm) hypothetical protein 0.0522 0.2247 0.2247
Schistosoma mansoni hypothetical protein 0.0522 0.2247 0.2247
Loa Loa (eye worm) blistered cuticle protein 3 0.1616 1 1
Schistosoma mansoni notch 0.0522 0.2247 0.2247
Loa Loa (eye worm) hypothetical protein 0.1616 1 1
Onchocerca volvulus Chorion peroxidase homolog 0.1616 1 1
Schistosoma mansoni notch 0.0522 0.2247 0.2247
Onchocerca volvulus 0.0522 0.2247 0.2247
Schistosoma mansoni hypothetical protein 0.0522 0.2247 0.2247
Schistosoma mansoni hypothetical protein 0.0522 0.2247 0.2247
Echinococcus multilocularis neurogenic locus notch protein 0.0522 0.2247 0.033
Brugia malayi Cadherin domain containing protein 0.0522 0.2247 0.2247
Loa Loa (eye worm) hypothetical protein 0.1616 1 1
Echinococcus multilocularis neurogenic locus notch protein 0.0522 0.2247 0.033
Brugia malayi hypothetical protein 0.0525 0.2269 0.2269
Loa Loa (eye worm) animal heme peroxidase 0.1616 1 1
Brugia malayi EGF-like domain containing protein 0.0522 0.2247 0.2247
Brugia malayi Animal haem peroxidase family protein 0.1616 1 1
Brugia malayi Blistered cuticle protein 3 0.1616 1 1
Onchocerca volvulus 0.0522 0.2247 0.2247
Loa Loa (eye worm) animal heme peroxidase 0.1616 1 1
Schistosoma mansoni notch 0.0522 0.2247 0.2247
Brugia malayi EGF-like domain containing protein 0.0522 0.2247 0.2247
Toxoplasma gondii EGF family domain-containing protein 0.0522 0.2247 0.5
Loa Loa (eye worm) hypothetical protein 0.1616 1 1
Loa Loa (eye worm) animal heme peroxidase 0.1616 1 1
Echinococcus granulosus slit 2 protein 0.0522 0.2247 0.033
Brugia malayi notch-like transmembrane receptor 0.0522 0.2247 0.2247
Brugia malayi EGF-like domain containing protein 0.0522 0.2247 0.2247
Loa Loa (eye worm) hypothetical protein 0.0522 0.2247 0.2247
Echinococcus multilocularis slit 2 protein 0.0522 0.2247 0.033
Loa Loa (eye worm) hypothetical protein 0.1616 1 1
Onchocerca volvulus 0.1616 1 1
Loa Loa (eye worm) hypothetical protein 0.0522 0.2247 0.2247
Loa Loa (eye worm) hypothetical protein 0.1616 1 1
Loa Loa (eye worm) hypothetical protein 0.1616 1 1
Echinococcus granulosus delta-like protein 1 0.0522 0.2247 0.033
Loa Loa (eye worm) hypothetical protein 0.0522 0.2247 0.2247
Onchocerca volvulus Peroxidase homolog 0.1616 1 1
Schistosoma mansoni peroxidasin 0.1616 1 1
Loa Loa (eye worm) hypothetical protein 0.1616 1 1
Brugia malayi Calcium binding EGF domain containing protein 0.0522 0.2247 0.2247
Schistosoma mansoni hypothetical protein 0.0522 0.2247 0.2247
Onchocerca volvulus 0.0522 0.2247 0.2247
Echinococcus multilocularis neurogenic locus protein delta 0.0522 0.2247 0.033
Loa Loa (eye worm) hypothetical protein 0.0522 0.2247 0.2247
Loa Loa (eye worm) hypothetical protein 0.0522 0.2247 0.2247
Echinococcus multilocularis fibropellin Ia 0.0522 0.2247 0.033
Schistosoma mansoni hypothetical protein 0.0522 0.2247 0.2247
Brugia malayi sulfakinin receptor protein 0.0525 0.2269 0.2269
Loa Loa (eye worm) hypothetical protein 0.0522 0.2247 0.2247
Brugia malayi Muscle positioning protein 4 0.0522 0.2247 0.2247
Loa Loa (eye worm) hypothetical protein 0.0522 0.2247 0.2247
Brugia malayi Animal haem peroxidase family protein 0.1616 1 1
Brugia malayi EGF-like domain containing protein 0.0522 0.2247 0.2247
Loa Loa (eye worm) hypothetical protein 0.0522 0.2247 0.2247
Onchocerca volvulus 0.0522 0.2247 0.2247
Onchocerca volvulus Putative cubilin 0.0522 0.2247 0.2247
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0522 0.2247 0.2247
Brugia malayi Animal haem peroxidase family protein 0.1616 1 1
Brugia malayi Delta serrate ligand family protein 0.0522 0.2247 0.2247
Onchocerca volvulus 0.0522 0.2247 0.2247
Loa Loa (eye worm) hypothetical protein 0.0522 0.2247 0.2247
Brugia malayi GCC2 and GCC3 family protein 0.0522 0.2247 0.2247
Echinococcus granulosus neurogenic locus protein delta 0.0522 0.2247 0.033
Loa Loa (eye worm) hypothetical protein 0.0522 0.2247 0.2247
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.0485 0.1983 0.1983
Schistosoma mansoni peroxidasin 0.1616 1 1
Loa Loa (eye worm) hypothetical protein 0.1616 1 1
Schistosoma mansoni gamma-secretase subunit aph-1 0.0485 0.1983 0.1983
Schistosoma mansoni notch 0.0522 0.2247 0.2247
Schistosoma mansoni notch 0.0522 0.2247 0.2247
Loa Loa (eye worm) hypothetical protein 0.0522 0.2247 0.2247
Brugia malayi gamma-secretase subunit aph-1 0.0485 0.1983 0.1983
Brugia malayi Cadherin domain containing protein 0.0522 0.2247 0.2247
Schistosoma mansoni laminin gamma-3 chain 0.0522 0.2247 0.2247
Schistosoma mansoni hypothetical protein 0.0522 0.2247 0.2247
Onchocerca volvulus Peroxidasin homolog 0.1616 1 1
Loa Loa (eye worm) hypothetical protein 0.0522 0.2247 0.2247
Loa Loa (eye worm) hypothetical protein 0.0522 0.2247 0.2247
Schistosoma mansoni notch 0.0522 0.2247 0.2247
Loa Loa (eye worm) hypothetical protein 0.1616 1 1
Brugia malayi EGF-like domain containing protein 0.0522 0.2247 0.2247
Loa Loa (eye worm) hypothetical protein 0.0522 0.2247 0.2247
Echinococcus multilocularis notch 0.0522 0.2247 0.033
Loa Loa (eye worm) hypothetical protein 0.0522 0.2247 0.2247
Loa Loa (eye worm) hypothetical protein 0.0522 0.2247 0.2247
Brugia malayi Animal haem peroxidase family protein 0.1616 1 1
Loa Loa (eye worm) hypothetical protein 0.1616 1 1
Echinococcus granulosus protein jagged 2 0.0522 0.2247 0.033
Loa Loa (eye worm) hypothetical protein 0.0522 0.2247 0.2247
Loa Loa (eye worm) hypothetical protein 0.0522 0.2247 0.2247
Brugia malayi Animal haem peroxidase family protein 0.1616 1 1
Brugia malayi Peroxidasin 0.1616 1 1
Loa Loa (eye worm) Notch2 0.0522 0.2247 0.2247
Loa Loa (eye worm) hypothetical protein 0.0525 0.2269 0.2269
Onchocerca volvulus Dual oxidase homolog 0.1616 1 1
Schistosoma mansoni hypothetical protein 0.0522 0.2247 0.2247
Schistosoma mansoni septate junction protein 0.0522 0.2247 0.2247
Onchocerca volvulus Peroxidasin homolog 0.1616 1 1
Onchocerca volvulus Slit protein homolog 0.0522 0.2247 0.2247
Brugia malayi Calcium binding EGF domain containing protein 0.0522 0.2247 0.2247

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Induction of receptor internalization in YFP-tagged human CCK1 receptor expressed in CHO cells at 100 nM after 90 mins ChEMBL. 19271701
Activity (functional) Agonist activity at human CCK2 receptor expressed in CHO cells assessed as stimulation of intracellular calcium response ChEMBL. 19271701
Activity (functional) Agonist activity at human CCK1 receptor expressed in CHO cells assessed as stimulation of intracellular calcium response ChEMBL. 19271701
Activity (functional) Antagonist activity at human CCK1 receptor expressed in CHO cells assessed as inhibition of CCK8-stimulated intracellular calcium response preincubated for 100 seconds before CCK8 challenge ChEMBL. 19271701
Activity (functional) Antagonist activity at human CCK2 receptor expressed in CHO cells assessed as inhibition of CCK8-stimulated intracellular calcium response preincubated for 100 seconds before CCK8 challenge ChEMBL. 19271701

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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