Detailed information for compound 1505828

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 419.519 | Formula: C24H29N5O2
  • H donors: 2 H acceptors: 2 LogP: 2.6 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCNC(=O)c1cccc(c1)c1n[nH]c(c1)c1ccc(cc1)N1CCN(CC1)C
  • InChi: 1S/C24H29N5O2/c1-28-11-13-29(14-12-28)21-8-6-18(7-9-21)22-17-23(27-26-22)19-4-3-5-20(16-19)24(30)25-10-15-31-2/h3-9,16-17H,10-15H2,1-2H3,(H,25,30)(H,26,27)
  • InChiKey: NBYFIQFHIVEFKV-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 protein kinase D1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_130080 All targets in OG5_130080
Schistosoma japonicum expressed protein Get druggable targets OG5_130080 All targets in OG5_130080
Onchocerca volvulus Get druggable targets OG5_130080 All targets in OG5_130080
Schistosoma japonicum ko:K06070 protein kinase D, putative Get druggable targets OG5_130080 All targets in OG5_130080
Schistosoma japonicum hypothetical protein Get druggable targets OG5_130080 All targets in OG5_130080
Brugia malayi Phorbol esters/diacylglycerol binding domain Get druggable targets OG5_130080 All targets in OG5_130080
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130080 All targets in OG5_130080
Loa Loa (eye worm) CAMK/PKD protein kinase Get druggable targets OG5_130080 All targets in OG5_130080
Loa Loa (eye worm) CAMK/PKD protein kinase Get druggable targets OG5_130080 All targets in OG5_130080
Brugia malayi C1-like domain containing protein Get druggable targets OG5_130080 All targets in OG5_130080
Schistosoma japonicum hypothetical protein Get druggable targets OG5_130080 All targets in OG5_130080
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130080 All targets in OG5_130080
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130080 All targets in OG5_130080
Schistosoma mansoni protein kinase C mu Get druggable targets OG5_130080 All targets in OG5_130080
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130080 All targets in OG5_130080
Onchocerca volvulus Get druggable targets OG5_130080 All targets in OG5_130080
Schistosoma japonicum ko:K06070 protein kinase D, putative Get druggable targets OG5_130080 All targets in OG5_130080

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) hypothetical protein 0.0074 0.0238 0.8422
Schistosoma mansoni protein kinase C mu 0.0083 0.0274 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.0283 1
Treponema pallidum penicillin-binding protein (pbp-3) 0.1167 0.4441 0.375
Onchocerca volvulus 0.0083 0.0273 0.7864
Mycobacterium ulcerans penicillin-binding protein PbpA 0.1745 0.6665 0.6348
Mycobacterium leprae POSSIBLE PENICILLIN-BINDING LIPOPROTEIN 0.2577 0.9863 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.0273 0.9663
Mycobacterium tuberculosis Possible penicillin-binding lipoprotein 0.2577 0.9863 1
Mycobacterium leprae Probable penicillin-binding protein PbpA 0.1745 0.6665 0.6348
Mycobacterium tuberculosis Probable penicillin-binding protein PbpA 0.1745 0.6665 0.6348
Mycobacterium ulcerans penicillin-binding membrane protein PbpB 0.1167 0.4441 0.3809
Mycobacterium ulcerans penicillin-binding lipoprotein 0.2577 0.9863 1
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0074 0.0239 0.846
Brugia malayi C1-like domain containing protein 0.0083 0.0274 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0238 0.8422
Onchocerca volvulus 0.0085 0.0283 1
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0083 0.0274 0.9701
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0083 0.0274 1
Trichomonas vaginalis conserved hypothetical protein 0.0299 0.1106 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.9 uM Inhibition of human PKD1 by TR-FRET assay ChEMBL. 21300545

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.