Detailed information for compound 930332

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 361.361 | Formula: C17H15N9O
  • H donors: 2 H acceptors: 7 LogP: -0.15 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCn1ncc(c1)c1cnc2c(n1)n(nn2)Cc1c[nH]c2c1cccn2
  • InChi: 1S/C17H15N9O/c27-5-4-25-9-12(7-21-25)14-8-20-16-17(22-14)26(24-23-16)10-11-6-19-15-13(11)2-1-3-18-15/h1-3,6-9,27H,4-5,10H2,(H,18,19)
  • InChiKey: RZHXWRMPIDZVPI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens MET proto-oncogene, receptor tyrosine kinase Starlite/ChEMBL 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
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0168 1 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0079 0.3968 0.3808
Brugia malayi orphan nuclear receptor NR2E1 0.0079 0.3968 0.3968
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0079 0.3968 0.3968
Brugia malayi nuclear receptor NHR-88 0.0168 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0168 1 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0079 0.3968 0.3808
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0079 0.3968 0.3968
Brugia malayi Nuclear hormone receptor-like 1 0.0089 0.4614 0.4614
Schistosoma mansoni coup transcription factor 0.0168 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0168 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0168 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0168 1 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.4614 0.4614
Schistosoma mansoni nuclear receptor 0.0079 0.3968 0.3968
Loa Loa (eye worm) hypothetical protein 0.0168 1 1
Loa Loa (eye worm) hypothetical protein 0.0168 1 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0079 0.3968 0.3968
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0168 1 1
Brugia malayi steroid hormone receptor 0.0168 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0168 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0168 1 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.3968 0.3968
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0079 0.3968 0.3808
Schistosoma mansoni RAR-like nuclear receptor 0.0168 1 1
Loa Loa (eye worm) hypothetical protein 0.0168 1 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0079 0.3968 0.3968
Loa Loa (eye worm) hypothetical protein 0.0079 0.3968 0.3968
Loa Loa (eye worm) hypothetical protein 0.0079 0.3968 0.3968
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0168 1 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.4614 0.4614
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0168 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0089 0.4614 0.4471
Loa Loa (eye worm) hypothetical protein 0.0079 0.3968 0.3968
Onchocerca volvulus Bile acid receptor homolog 0.0168 1 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0089 0.4614 0.4471
Brugia malayi tailless protein 0.0079 0.3968 0.3968
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0168 1 1
Loa Loa (eye worm) nuclear hormone receptor 0.0079 0.3968 0.3968
Schistosoma mansoni steroid hormone receptor ad4bp 0.0168 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0168 1 1
Schistosoma mansoni thyroid hormone receptor 0.0168 1 1
Loa Loa (eye worm) hypothetical protein 0.0168 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0168 1 1
Brugia malayi hypothetical protein 0.0089 0.4614 0.4614
Echinococcus multilocularis FTZ F1 alpha 0.0168 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0168 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0079 0.3968 0.3808
Loa Loa (eye worm) hypothetical protein 0.0079 0.3968 0.3968
Echinococcus granulosus Nuclear hormone receptor HR96 0.0079 0.3968 0.3808
Brugia malayi nuclear hormone receptor family member nhr-6 0.0079 0.3968 0.3968
Brugia malayi hypothetical protein 0.0079 0.3968 0.3968
Loa Loa (eye worm) hypothetical protein 0.0168 1 1
Brugia malayi nuclear hormone receptor 0.0079 0.3968 0.3968
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0168 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0079 0.3968 0.3808
Echinococcus multilocularis nuclear receptor nhr 48 0.0079 0.3968 0.3808
Brugia malayi hypothetical protein 0.0089 0.4614 0.4614
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0168 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0168 1 1
Schistosoma mansoni nuclear hormone receptor 0.0168 1 1
Brugia malayi nuclear receptor RXR 0.0079 0.3968 0.3968
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0079 0.3968 0.3968
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0079 0.3968 0.3968
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0079 0.3968 0.3808
Brugia malayi Nuclear hormone receptor E75 0.0079 0.3968 0.3968
Brugia malayi ecdysone receptor 0.0079 0.3968 0.3968
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0168 1 1
Schistosoma mansoni nuclear hormone receptor 0.0079 0.3968 0.3968
Echinococcus granulosus FTZ F1 alpha 0.0168 1 1
Loa Loa (eye worm) hypothetical protein 0.0168 1 1
Loa Loa (eye worm) hypothetical protein 0.0168 1 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.3968 0.3968
Brugia malayi hypothetical protein 0.0079 0.3968 0.3968
Brugia malayi nuclear receptor NHR-67 0.0079 0.3968 0.3968
Loa Loa (eye worm) hypothetical protein 0.0089 0.4614 0.4614
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0079 0.3968 0.3808
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0168 1 1
Schistosoma mansoni nuclear hormone receptor 0.0079 0.3968 0.3968
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0168 1 1
Loa Loa (eye worm) DR-78 0.0079 0.3968 0.3968
Loa Loa (eye worm) plexin A 0.0025 0.026 0.026
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0168 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0168 1 1
Onchocerca volvulus 0.0079 0.3968 0.3968
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0168 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0168 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0168 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0168 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0168 1 1
Brugia malayi nuclear hormone receptor 0.0168 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0168 1 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.4614 0.4614
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0168 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0168 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0168 1 1
Schistosoma mansoni zinc finger protein 0.0079 0.3968 0.3968
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0168 1 1
Schistosoma mansoni nuclear receptor nhr-48 0.0079 0.3968 0.3968
Brugia malayi nuclear receptor RXR 0.0089 0.4614 0.4614
Brugia malayi nuclear receptor NHR-88 0.0079 0.3968 0.3968
Echinococcus granulosus ecdysone induced protein 78C 0.0168 1 1
Brugia malayi conserved hypotetical protein 0.0079 0.3968 0.3968
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0168 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0168 1 1
Loa Loa (eye worm) hypothetical protein 0.0168 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0168 1 1
Brugia malayi plexin A 0.0025 0.026 0.026
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0168 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0168 1 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0079 0.3968 0.3968
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0168 1 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.3968 0.3968
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0079 0.3968 0.3968
Schistosoma mansoni thyroid hormone receptor 0.0168 1 1
Onchocerca volvulus 0.0168 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0168 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0168 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0168 1 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.3968 0.3968
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0168 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0168 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0089 0.4614 0.4614
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0089 0.4614 0.4614
Loa Loa (eye worm) hypothetical protein 0.0079 0.3968 0.3968
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0168 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0168 1 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.4614 0.4614
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0079 0.3968 0.3808
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0168 1 1
Onchocerca volvulus 0.0079 0.3968 0.3968
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0089 0.4614 0.4614
Loa Loa (eye worm) hypothetical protein 0.0079 0.3968 0.3968
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0168 1 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0079 0.3968 0.3808
Loa Loa (eye worm) hypothetical protein 0.0079 0.3968 0.3968
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0168 1 1
Brugia malayi Nuclear hormone receptor E75 0.0079 0.3968 0.3968
Loa Loa (eye worm) hypothetical protein 0.0079 0.3968 0.3968
Brugia malayi Nuclear hormone receptor-like 1 0.0089 0.4614 0.4614
Echinococcus granulosus nuclear receptor nhr 48 0.0079 0.3968 0.3808
Loa Loa (eye worm) hypothetical protein 0.0079 0.3968 0.3968
Schistosoma mansoni nuclear receptor 0.0079 0.3968 0.3968

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.005 uM Inhibition of c-Met (unknown origin) using Poly E4Y substrate and ATP incubated for 45 mins by fluorescence polarization assay ChEMBL. 25148209
IC50 (binding) = 0.01 uM Inhibition of c-Met autophosphorylation in human NCI-H441 cells for 1 hr by ELISA ChEMBL. 25148209
IC50 (functional) = 0.025 uM Antiproliferative activity against human NCI-H441 cells assessed as HGF-induced proliferation after 72 hrs by MTT assay ChEMBL. 25148209
Inhibition (binding) = 34.7 % Inhibition of c-Met autophosphorylation in human NCI-H441 cells for 1 hr by ELISA ChEMBL. 25148209
Stabilty (ADMET) = 82.6 % Metabolic stability in mouse liver microsomes assessed as compound remaining at 1 uM after 30 mins ChEMBL. 25148209

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 25148209

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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