Detailed information for compound 505549

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 384.386 | Formula: C19H20N4O5
  • H donors: 3 H acceptors: 5 LogP: 2.05 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(c1ncco1)NC1=C(C(=O)C1=O)Nc1cccc(c1O)C(=O)N(C)C
  • InChi: 1S/C19H20N4O5/c1-4-11(18-20-8-9-28-18)21-13-14(17(26)16(13)25)22-12-7-5-6-10(15(12)24)19(27)23(2)3/h5-9,11,21-22,24H,4H2,1-3H3
  • InChiKey: GAZMRTOTNDECNS-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 chemokine (C-X-C motif) receptor 2 Starlite/ChEMBL References
Homo sapiens chemokine (C-X-C motif) receptor 1 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
Onchocerca volvulus 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Brugia malayi follicle stimulating hormone receptor 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Brugia malayi hypothetical protein 0.0015 0 0.5
Brugia malayi hypothetical protein 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Brugia malayi hypothetical protein 0.0015 0 0.5
Onchocerca volvulus 0.0015 0 0.5
Brugia malayi hypothetical protein 0.0015 0 0.5
Brugia malayi Tachykinin-like peptides receptor 99D 0.0015 0 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0015 0 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0015 0 0.5
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.0168 0.9571 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0015 0 0.5
Onchocerca volvulus 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Echinococcus granulosus ankyrin repeat protein 0.0168 0.9571 0.9571
Brugia malayi Dopamine receptor 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Brugia malayi putative neuropeptide receptor NPR1 0.0015 0 0.5
Brugia malayi GnHR receptor homolog 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Onchocerca volvulus 0.0015 0 0.5
Onchocerca volvulus 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Onchocerca volvulus 0.0015 0 0.5
Brugia malayi sulfakinin receptor protein 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Brugia malayi RE15519p 0.0015 0 0.5
Brugia malayi hypothetical protein 0.0015 0 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.0015 0 0.5
Onchocerca volvulus 0.0015 0 0.5
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0015 0 0.5
Brugia malayi Melatonin receptor type 1A 0.0015 0 0.5
Echinococcus multilocularis ankyrin repeat protein 0.0168 0.9571 0.9571
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0015 0 0.5
Brugia malayi G protein-coupled receptor 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Brugia malayi Serotonin receptor 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Brugia malayi hypothetical protein 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Brugia malayi hypothetical protein 0.0015 0 0.5
Onchocerca volvulus 0.0015 0 0.5
Brugia malayi G-protein coupled receptor 0.0015 0 0.5
Onchocerca volvulus 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0015 0 0.5
Brugia malayi ORL1-like opioid receptor 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Brugia malayi Dopamine receptor protein 2 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Brugia malayi Dopamine receptor protein 1 0.0015 0 0.5
Loa Loa (eye worm) melatonin receptor type 1A 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0015 0 0.5
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0015 0 0.5
Onchocerca volvulus 0.0015 0 0.5
Brugia malayi hypothetical protein 0.0015 0 0.5
Brugia malayi neuropeptide F receptor 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Brugia malayi hypothetical protein 0.0015 0 0.5
Onchocerca volvulus 0.0015 0 0.5
Onchocerca volvulus 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Brugia malayi G protein-coupled receptor F59B2.13 0.0015 0 0.5
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0015 0 0.5
Brugia malayi hypothetical protein 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Onchocerca volvulus 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Brugia malayi neuropeptide F receptor 0.0015 0 0.5
Loa Loa (eye worm) TYRA-2 protein 0.0015 0 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Brugia malayi AKH receptor 0.0015 0 0.5
Echinococcus multilocularis transient receptor potential cation channel 0.0174 1 1
Onchocerca volvulus 0.0015 0 0.5
Brugia malayi Serotonin receptor 0.0015 0 0.5
Onchocerca volvulus 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Onchocerca volvulus 0.0015 0 0.5
Brugia malayi G-protein coupled receptor 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0015 0 0.5
Onchocerca volvulus 0.0015 0 0.5
Brugia malayi putative neuropeptide receptor 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0 0.5
Brugia malayi larval opioid receptor 0.0015 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 8.6 nM Inhibition of CXCR2 (unknown origin) ChEMBL. 18242983
IC50 (binding) = 8.6 nM Inhibition of CXCR2 (unknown origin) ChEMBL. 18242983
IC50 (binding) = 795 nM Inhibition of CXCR1 (unknown origin) ChEMBL. 18242983
IC50 (binding) = 795 nM Inhibition of CXCR1 (unknown origin) ChEMBL. 18242983

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.

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