Detailed information for compound 930655

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 501.58 | Formula: C27H31N7O3
  • H donors: 0 H acceptors: 4 LogP: 2.04 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: N#Cc1cccc(c1)c1ccc(=O)n(n1)C[C@H]1OCCN(C1)c1ncc(cn1)OCC1CCN(CC1)C
  • InChi: 1S/C27H31N7O3/c1-32-9-7-20(8-10-32)19-37-23-15-29-27(30-16-23)33-11-12-36-24(17-33)18-34-26(35)6-5-25(31-34)22-4-2-3-21(13-22)14-28/h2-6,13,15-16,20,24H,7-12,17-19H2,1H3/t24-/m0/s1
  • InChiKey: QUOUGZCZUVHVEM-DEOSSOPVSA-N  

Network

Hover on a compound node to display the structore

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) TYRA-2 protein 0.0023 0.8338 0.8338
Brugia malayi hypothetical protein 0.0023 0.8338 0.4544
Onchocerca volvulus 0.0023 0.8338 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0023 0.8338 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0023 0.8338 1
Onchocerca volvulus 0.0023 0.8338 1
Schistosoma mansoni biogenic amine receptor 0.0023 0.8338 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0023 0.8338 0.8338
Onchocerca volvulus 0.0023 0.8338 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0023 0.8338 0.8338
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0023 0.8338 0.4544
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0.8338 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0023 0.8338 1
Schistosoma mansoni growth hormone secretagogue receptor 0.0023 0.8338 1
Onchocerca volvulus 0.0023 0.8338 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0023 0.8338 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Brugia malayi RE15519p 0.0023 0.8338 0.4544
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0.8338 1
Brugia malayi follicle stimulating hormone receptor 0.0023 0.8338 0.4544
Brugia malayi hypothetical protein 0.0023 0.8338 0.4544
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Schistosoma mansoni biogenic amine receptor 0.0023 0.8338 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Onchocerca volvulus 0.0023 0.8338 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0023 0.8338 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Schistosoma mansoni adenoreceptor 0.0023 0.8338 1
Brugia malayi GnHR receptor homolog 0.0023 0.8338 0.4544
Brugia malayi putative neuropeptide receptor NPR1 0.0023 0.8338 0.4544
Brugia malayi G-protein coupled receptor 0.0023 0.8338 0.4544
Brugia malayi Melatonin receptor type 1A 0.0023 0.8338 0.4544
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0.8338 1
Schistosoma mansoni neuropeptide receptor 0.0023 0.8338 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0023 0.8338 0.4544
Schistosoma mansoni hypothetical protein 0.0023 0.8338 1
Brugia malayi hypothetical protein 0.0023 0.8338 0.4544
Brugia malayi neuropeptide F receptor 0.0023 0.8338 0.4544
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0023 0.8338 0.4544
Schistosoma mansoni amine GPCR 0.0023 0.8338 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0023 0.8338 1
Onchocerca volvulus 0.0023 0.8338 1
Brugia malayi G protein-coupled receptor F59B2.13 0.0023 0.8338 0.4544
Brugia malayi G-protein coupled receptor 0.0023 0.8338 0.4544
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0023 0.8338 0.8338
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0.8338 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0023 0.8338 1
Onchocerca volvulus 0.0023 0.8338 1
Brugia malayi hypothetical protein 0.0023 0.8338 0.4544
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0023 0.8338 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0023 0.8338 1
Loa Loa (eye worm) G-protein coupled receptor 0.0023 0.8338 0.8338
Schistosoma mansoni neuropeptide receptor 0.0023 0.8338 1
Onchocerca volvulus 0.0023 0.8338 1
Onchocerca volvulus 0.0023 0.8338 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Schistosoma mansoni amine GPCR 0.0023 0.8338 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Loa Loa (eye worm) neuropeptide F receptor 0.0023 0.8338 0.8338
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0023 0.8338 0.4544
Onchocerca volvulus Neuropeptide F receptor homolog 0.0023 0.8338 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Schistosoma mansoni opsin-like receptor 0.0023 0.8338 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0.8338 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0023 0.8338 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0023 0.8338 0.4544
Brugia malayi hypothetical protein 0.0023 0.8338 0.4544
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Brugia malayi Dopamine receptor protein 2 0.0023 0.8338 0.4544
Brugia malayi AKH receptor 0.0023 0.8338 0.4544
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Echinococcus multilocularis plexin a4 0.0025 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Brugia malayi Dopamine receptor protein 1 0.0023 0.8338 0.4544
Brugia malayi hypothetical protein 0.0023 0.8338 0.4544
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0023 0.8338 0.8338
Schistosoma mansoni neuropeptide receptor 0.0023 0.8338 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0023 0.8338 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.6953 0.6953
Brugia malayi hypothetical protein 0.0023 0.8338 0.4544
Schistosoma mansoni plexin 0.0021 0.6953 0.834
Brugia malayi Serotonin receptor 0.0023 0.8338 0.4544
Schistosoma mansoni hypothetical protein 0.0023 0.8338 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0023 0.8338 1
Brugia malayi Dopamine receptor 0.0023 0.8338 0.4544
Brugia malayi ORL1-like opioid receptor 0.0023 0.8338 0.4544
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Schistosoma mansoni amine GPCR 0.0023 0.8338 1
Brugia malayi larval opioid receptor 0.0023 0.8338 0.4544
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0.8338 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Loa Loa (eye worm) plexin A 0.0025 1 1
Schistosoma mansoni biogenic amine receptor 0.0023 0.8338 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0023 0.8338 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0023 0.8338 1
Brugia malayi hypothetical protein 0.0023 0.8338 0.4544
Schistosoma mansoni myosin xvIII 0.0023 0.8338 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Brugia malayi Serotonin receptor 0.0023 0.8338 0.4544
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Schistosoma mansoni amine GPCR 0.0023 0.8338 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Schistosoma mansoni amine GPCR 0.0023 0.8338 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0023 0.8338 1
Schistosoma mansoni neuropeptide F-like receptor 0.0023 0.8338 1
Onchocerca volvulus 0.0023 0.8338 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Schistosoma mansoni histamine h1 receptor 0.0023 0.8338 1
Loa Loa (eye worm) neuropeptide F receptor 0.0023 0.8338 0.8338
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Onchocerca volvulus 0.0023 0.8338 1
Onchocerca volvulus 0.0023 0.8338 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0023 0.8338 0.4544
Schistosoma mansoni hypothetical protein 0.0023 0.8338 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Schistosoma mansoni alpha-1 adrenergic receptor 0.0023 0.8338 1
Brugia malayi sulfakinin receptor protein 0.0023 0.8338 0.4544
Schistosoma mansoni opsin-like receptor 0.0023 0.8338 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0023 0.8338 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0023 0.8338 1
Brugia malayi hypothetical protein 0.0023 0.8338 0.4544
Schistosoma mansoni neuropeptide F-like receptor 0.0023 0.8338 1
Schistosoma mansoni opsin-like receptor 0.0023 0.8338 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0023 0.8338 0.8338
Brugia malayi hypothetical protein 0.0023 0.8338 0.4544
Brugia malayi putative neuropeptide receptor 0.0023 0.8338 0.4544
Onchocerca volvulus 0.0023 0.8338 1
Loa Loa (eye worm) G-protein coupled receptor 0.0023 0.8338 0.8338
Echinococcus granulosus plexin a4 0.0025 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Onchocerca volvulus 0.0023 0.8338 1
Onchocerca volvulus 0.0023 0.8338 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0.8338 1
Onchocerca volvulus 0.0023 0.8338 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0.8338 1
Schistosoma mansoni neuropeptide receptor 0.0023 0.8338 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0.8338 1
Schistosoma mansoni hypothetical protein 0.0023 0.8338 1
Onchocerca volvulus 0.0023 0.8338 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0023 0.8338 0.8338
Brugia malayi G protein-coupled receptor 0.0023 0.8338 0.4544
Loa Loa (eye worm) hypothetical protein 0.0023 0.8338 0.8338
Brugia malayi neuropeptide F receptor 0.0023 0.8338 0.4544

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.013 uM Inhibition of c-Met (unknown origin) by HTRF assay ChEMBL. 25282552
IC50 (functional) = 2.4 uM Cytotoxicity against human NCI-H1993 cells after 72 hrs by WST8 assay ChEMBL. 25282552

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 25282552

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.

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