Detailed information for compound 930327
Basic information
Technical information
- Name: Unnamed compound
- MW: 361.361 | Formula: C17H15N9O
-
H donors: 1
H acceptors: 7
LogP: -0.4
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: OCCn1ncc(c1)c1cnc2c(n1)n(nn2)Cc1ccn2c(c1)ccn2
- InChi: 1S/C17H15N9O/c27-6-5-24-11-13(8-20-24)15-9-18-16-17(21-15)26(23-22-16)10-12-2-4-25-14(7-12)1-3-19-25/h1-4,7-9,11,27H,5-6,10H2
- InChiKey: KJSAUKUYSFCYRX-UHFFFAOYSA-N
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 |
|---|---|---|---|---|
| Schistosoma mansoni | glycogen phosphorylase | 0.0232 | 1 | 1 |
| Echinococcus multilocularis | glycogen phosphorylase | 0.0232 | 1 | 1 |
| Trichomonas vaginalis | glycogen phosphorylase, putative | 0.0232 | 1 | 0.5 |
| Trichomonas vaginalis | glycogen phosphorylase, putative | 0.0232 | 1 | 0.5 |
| Brugia malayi | plexin A | 0.0025 | 0.0569 | 0.0181 |
| Loa Loa (eye worm) | plexin A | 0.0025 | 0.0569 | 0.0569 |
| Echinococcus granulosus | glycogen phosphorylase | 0.0232 | 1 | 1 |
| Mycobacterium tuberculosis | Probable glycogen phosphorylase GlgP | 0.01 | 0.4011 | 0.5 |
| Entamoeba histolytica | glycogen phosphorylase, putative | 0.0232 | 1 | 1 |
| Echinococcus granulosus | glycogen phosphorylase | 0.0232 | 1 | 1 |
| Schistosoma mansoni | glycogen phosphorylase | 0.01 | 0.4011 | 0.4011 |
| Giardia lamblia | Glycogen phosphorylase | 0.0232 | 1 | 0.5 |
| Schistosoma mansoni | glycogen phosphorylase | 0.0232 | 1 | 1 |
| Schistosoma mansoni | plexin | 0.0021 | 0.0396 | 0.0396 |
| Loa Loa (eye worm) | glycogen phosphorylase | 0.0232 | 1 | 1 |
| Echinococcus multilocularis | glycogen phosphorylase | 0.0232 | 1 | 1 |
| Echinococcus granulosus | Glycosyl transferase family 35 | 0.0232 | 1 | 1 |
| Chlamydia trachomatis | glycogen phosphorylase | 0.0232 | 1 | 0.5 |
| Mycobacterium ulcerans | glycogen phosphorylase GlgP | 0.01 | 0.4011 | 0.5 |
| Entamoeba histolytica | glycogen phosphorylase, putative | 0.0232 | 1 | 1 |
| Onchocerca volvulus | Glycogen phosphorylase homolog | 0.0232 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0021 | 0.0396 | 0.0396 |
| Echinococcus multilocularis | Glycosyl transferase, family 35 | 0.0232 | 1 | 1 |
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) | = 0.007 uM | Inhibition of c-Met autophosphorylation in human NCI-H441 cells for 1 hr by ELISA | ChEMBL. | 25148209 |
| IC50 (functional) | = 0.066 uM | Antiproliferative activity against human NCI-H441 cells assessed as HGF-induced proliferation after 72 hrs by MTT assay | ChEMBL. | 25148209 |
| Inhibition (binding) | = 50.1 % | Inhibition of c-Met autophosphorylation in human NCI-H441 cells for 1 hr by ELISA | ChEMBL. | 25148209 |
| Stabilty (ADMET) | = 93.3 % | 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.
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
- ChEMBL: CHEMBL3334551
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.