Detailed information for compound 1650921

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 444.484 | Formula: C28H20N4O2
  • H donors: 0 H acceptors: 2 LogP: 6.14 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1C(=O)N(/C(=N/c2ccccc2)/C/1=N\c1ccccc1)c1ccccc1)c1ccccc1
  • InChi: 1S/C28H20N4O2/c33-27(21-13-5-1-6-14-21)32-26(30-23-17-9-3-10-18-23)25(29-22-15-7-2-8-16-22)31(28(32)34)24-19-11-4-12-20-24/h1-20H/b29-25+,30-26+
  • InChiKey: HXWMFCLWDJULMR-XDHTVYJESA-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 multilocularis slit 2 protein 0.0509 0.2157 0.2157
Loa Loa (eye worm) hypothetical protein 0.2219 1 1
Brugia malayi EGF-like domain containing protein 0.0509 0.2157 0.2157
Schistosoma mansoni notch 0.0509 0.2157 0.2157
Loa Loa (eye worm) animal heme peroxidase 0.2219 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.0644 1
Loa Loa (eye worm) hypothetical protein 0.0509 0.2157 0.2157
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.0644 1
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0509 0.2157 0.2157
Echinococcus granulosus peroxidasin 0.2219 1 1
Echinococcus granulosus protein jagged 2 0.0509 0.2157 0.2157
Echinococcus multilocularis microsomal glutathione S transferase 3 0.0055 0.0073 0.0073
Schistosoma mansoni laminin gamma-3 chain 0.0509 0.2157 0.2157
Loa Loa (eye worm) hypothetical protein 0.0509 0.2157 0.2157
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0124 0.0388 0.0388
Loa Loa (eye worm) animal heme peroxidase 0.2219 1 1
Brugia malayi GCC2 and GCC3 family protein 0.0509 0.2157 0.2157
Trichomonas vaginalis glucosylceramidase, putative 0.0124 0.039 0.1027
Schistosoma mansoni microtubule-associated protein tau 0.0543 0.2312 0.2312
Brugia malayi Animal haem peroxidase family protein 0.2219 1 1
Brugia malayi Animal haem peroxidase family protein 0.2219 1 1
Loa Loa (eye worm) hypothetical protein 0.2219 1 1
Schistosoma mansoni peroxidasin 0.2219 1 1
Schistosoma mansoni cell polarity protein 0.0509 0.2157 0.2157
Onchocerca volvulus 0.2219 1 1
Echinococcus multilocularis protein jagged 1 0.0509 0.2157 0.2157
Schistosoma mansoni microsomal glutathione s-transferase 0.0055 0.0073 0.0073
Loa Loa (eye worm) hypothetical protein 0.0509 0.2157 0.2157
Brugia malayi notch-like transmembrane receptor 0.0509 0.2157 0.2157
Loa Loa (eye worm) hypothetical protein 0.0509 0.2157 0.2157
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.0644 1
Giardia lamblia High cysteine protein 0.0509 0.2157 0.5
Loa Loa (eye worm) hypothetical protein 0.2219 1 1
Brugia malayi Calcium binding EGF domain containing protein 0.0509 0.2157 0.2157
Brugia malayi EGF-like domain containing protein 0.0509 0.2157 0.2157
Schistosoma mansoni hypothetical protein 0.0509 0.2157 0.2157
Loa Loa (eye worm) animal heme peroxidase 0.2219 1 1
Echinococcus granulosus slit 2 protein 0.0509 0.2157 0.2157
Echinococcus granulosus neural cadherin 0.0509 0.2157 0.2157
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0509 0.2157 0.2157
Schistosoma mansoni hypothetical protein 0.0509 0.2157 0.2157
Loa Loa (eye worm) hypothetical protein 0.2219 1 1
Loa Loa (eye worm) hypothetical protein 0.0509 0.2157 0.2157
Echinococcus multilocularis geminin 0.0118 0.0361 0.0361
Onchocerca volvulus Peroxidasin homolog 0.2219 1 1
Loa Loa (eye worm) hypothetical protein 0.0509 0.2157 0.2157
Schistosoma mansoni hypothetical protein 0.0509 0.2157 0.2157
Loa Loa (eye worm) hypothetical protein 0.0509 0.2157 0.2157
Schistosoma mansoni notch 0.0509 0.2157 0.2157
Schistosoma mansoni hypothetical protein 0.0118 0.0361 0.0361
Brugia malayi Blistered cuticle protein 3 0.2219 1 1
Loa Loa (eye worm) hypothetical protein 0.2219 1 1
Brugia malayi EGF-like domain containing protein 0.0509 0.2157 0.2157
Loa Loa (eye worm) animal heme peroxidase 0.2219 1 1
Loa Loa (eye worm) hypothetical protein 0.0509 0.2157 0.2157
Onchocerca volvulus 0.0509 0.2157 0.1864
Loa Loa (eye worm) hypothetical protein 0.0509 0.2157 0.2157
Schistosoma mansoni hypothetical protein 0.0509 0.2157 0.2157
Brugia malayi Cadherin domain containing protein 0.0509 0.2157 0.2157
Brugia malayi Animal haem peroxidase family protein 0.2219 1 1
Schistosoma mansoni notch 0.0509 0.2157 0.2157
Echinococcus multilocularis fat cadherin tumor suppressor 0.0509 0.2157 0.2157
Brugia malayi EGF-like domain containing protein 0.0509 0.2157 0.2157
Echinococcus multilocularis protein jagged 1 0.0509 0.2157 0.2157
Loa Loa (eye worm) Notch2 0.0509 0.2157 0.2157
Echinococcus granulosus protein jagged 2 0.0509 0.2157 0.2157
Loa Loa (eye worm) hypothetical protein 0.0084 0.0208 0.0208
Loa Loa (eye worm) hypothetical protein 0.2219 1 1
Echinococcus multilocularis neurogenic locus notch protein 0.0509 0.2157 0.2157
Loa Loa (eye worm) hypothetical protein 0.2219 1 1
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0509 0.2157 0.1864
Loa Loa (eye worm) notch protein 0.0509 0.2157 0.2157
Brugia malayi latrophilin 2 splice variant baaae 0.0084 0.0208 0.0208
Loa Loa (eye worm) hypothetical protein 0.2219 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0124 0.0388 0.0388
Schistosoma mansoni hypothetical protein 0.0509 0.2157 0.2157
Onchocerca volvulus 0.0509 0.2157 0.1864
Brugia malayi Delta serrate ligand family protein 0.0509 0.2157 0.2157
Loa Loa (eye worm) hypothetical protein 0.0509 0.2157 0.2157
Brugia malayi EGF-like domain containing protein 0.0509 0.2157 0.2157
Brugia malayi Animal haem peroxidase family protein 0.2219 1 1
Echinococcus granulosus neurogenic locus notch protein 0.0509 0.2157 0.2157
Echinococcus multilocularis neurogenic locus protein delta 0.0509 0.2157 0.2157
Onchocerca volvulus Peroxidase homolog 0.2219 1 1
Loa Loa (eye worm) hypothetical protein 0.0509 0.2157 0.2157
Echinococcus granulosus microtubule associated protein 2 0.0543 0.2312 0.2312
Toxoplasma gondii EGF family domain-containing protein 0.0509 0.2157 1
Echinococcus granulosus neurogenic locus notch protein 4 0.0509 0.2157 0.2157
Loa Loa (eye worm) hypothetical protein 0.2219 1 1
Onchocerca volvulus 0.2219 1 1
Echinococcus multilocularis neurogenic locus protein delta 0.0509 0.2157 0.2157
Brugia malayi Muscle positioning protein 4 0.0509 0.2157 0.2157
Loa Loa (eye worm) blistered cuticle protein 3 0.2219 1 1
Schistosoma mansoni notch 0.0509 0.2157 0.2157
Echinococcus granulosus protein jagged 1 0.0509 0.2157 0.2157
Onchocerca volvulus 0.0509 0.2157 0.1864
Echinococcus multilocularis fibropellin Ia 0.0509 0.2157 0.2157
Loa Loa (eye worm) hypothetical protein 0.0509 0.2157 0.2157
Brugia malayi EGF-like domain containing protein 0.0509 0.2157 0.2157
Loa Loa (eye worm) hypothetical protein 0.2219 1 1
Onchocerca volvulus Chorion peroxidase homolog 0.2219 1 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0179 0.0644 0.0644
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member 0.024 0.0922 0.0922
Schistosoma mansoni notch 0.0509 0.2157 0.2157
Brugia malayi Cadherin domain containing protein 0.0509 0.2157 0.2157
Loa Loa (eye worm) hypothetical protein 0.0509 0.2157 0.2157
Echinococcus granulosus notch 0.0509 0.2157 0.2157
Brugia malayi EGF-like domain containing protein 0.0509 0.2157 0.2157
Loa Loa (eye worm) hypothetical protein 0.0509 0.2157 0.2157
Onchocerca volvulus Peroxidase homolog 0.2219 1 1
Loa Loa (eye worm) hypothetical protein 0.0509 0.2157 0.2157
Schistosoma mansoni septate junction protein 0.0509 0.2157 0.2157
Loa Loa (eye worm) hypothetical protein 0.2219 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.0644 1
Echinococcus granulosus geminin 0.0118 0.0361 0.0361
Echinococcus multilocularis neurogenic locus notch protein 0.0509 0.2157 0.2157
Brugia malayi Calcium binding EGF domain containing protein 0.0509 0.2157 0.2157
Loa Loa (eye worm) hypothetical protein 0.0509 0.2157 0.2157
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.0644 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0179 0.0644 0.0644
Loa Loa (eye worm) hypothetical protein 0.2219 1 1
Loa Loa (eye worm) hypothetical protein 0.0509 0.2157 0.2157
Echinococcus multilocularis microtubule associated protein 2 0.0543 0.2312 0.2312
Echinococcus granulosus neurogenic locus protein delta 0.0509 0.2157 0.2157
Onchocerca volvulus 0.0509 0.2157 0.1864
Echinococcus granulosus neurogenic locus notch protein 0.0509 0.2157 0.2157
Schistosoma mansoni hypothetical protein 0.0509 0.2157 0.2157
Onchocerca volvulus Peroxidasin homolog 0.2219 1 1
Echinococcus granulosus protein jagged 1 0.0509 0.2157 0.2157
Brugia malayi Calcium binding EGF domain containing protein 0.0509 0.2157 0.2157
Loa Loa (eye worm) hypothetical protein 0.0509 0.2157 0.2157
Trichomonas vaginalis glucosylceramidase, putative 0.0124 0.039 0.1027
Echinococcus multilocularis notch 0.0509 0.2157 0.2157
Schistosoma mansoni hypothetical protein 0.0509 0.2157 0.2157
Onchocerca volvulus Dual oxidase homolog 0.2219 1 1
Onchocerca volvulus 0.0509 0.2157 0.1864
Schistosoma mansoni notch 0.0509 0.2157 0.2157
Echinococcus multilocularis protein jagged 2 0.0509 0.2157 0.2157
Echinococcus granulosus delta-like protein 1 0.0509 0.2157 0.2157
Schistosoma mansoni slit 0.0509 0.2157 0.2157
Brugia malayi Peroxidasin 0.2219 1 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.0388 0.0388
Loa Loa (eye worm) hypothetical protein 0.2219 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.0644 1
Loa Loa (eye worm) hypothetical protein 0.0509 0.2157 0.2157
Onchocerca volvulus Putative cubilin 0.0509 0.2157 0.1864
Loa Loa (eye worm) hypothetical protein 0.0509 0.2157 0.2157
Echinococcus multilocularis neural cadherin 0.0509 0.2157 0.2157
Echinococcus granulosus microsomal glutathione S transferase 3 0.0055 0.0073 0.0073
Onchocerca volvulus Slit protein homolog 0.0509 0.2157 0.1864
Schistosoma mansoni peroxidasin 0.2219 1 1
Onchocerca volvulus Neurogenic locus notch homolog 0.0509 0.2157 0.1864
Loa Loa (eye worm) hypothetical protein 0.0509 0.2157 0.2157
Schistosoma mansoni hypothetical protein 0.0084 0.0208 0.0208
Loa Loa (eye worm) hypothetical protein 0.2219 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0124 0.0388 0.0388
Schistosoma mansoni hypothetical protein 0.0118 0.0361 0.0361
Onchocerca volvulus 0.2219 1 1
Echinococcus multilocularis neurogenic locus notch protein 4 0.0509 0.2157 0.2157
Loa Loa (eye worm) hypothetical protein 0.0509 0.2157 0.2157
Brugia malayi Animal haem peroxidase family protein 0.2219 1 1
Echinococcus multilocularis peroxidasin 0.2219 1 1
Echinococcus granulosus fibropellin Ia 0.0509 0.2157 0.2157

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.193 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.161 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.093 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (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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