Detailed information for compound 205472

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 437.492 | Formula: C23H27N5O4
  • H donors: 2 H acceptors: 5 LogP: 1.3 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N[C@H](C(=O)NC1C(=O)N(C)N(C(=O)c2c1cccc2)C(C)C)C)Cc1ccccn1
  • InChi: 1S/C23H27N5O4/c1-14(2)28-22(31)18-11-6-5-10-17(18)20(23(32)27(28)4)26-21(30)15(3)25-19(29)13-16-9-7-8-12-24-16/h5-12,14-15,20H,13H2,1-4H3,(H,25,29)(H,26,30)/t15-,20?/m0/s1
  • InChiKey: AZIBDOAYVGGDGR-OOJLDXBWSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Echinococcus multilocularis disco interacting protein 2 0.0035 0.0005 0.0005
Schistosoma mansoni hypothetical protein 0.0031 0.0001 0.0001
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.0037 0.029
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0567 0.0585 0.46
Echinococcus granulosus GPCR family 2 0.0031 0.0001 0.0001
Echinococcus multilocularis lysine specific demethylase 5A 0.0038 0.0008 0.0008
Echinococcus multilocularis jumonji domain containing protein 0.0044 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0031 0.0001 0.0005
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0078 0.0051 0.0397
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0567 0.0585 0.5
Treponema pallidum hypothetical protein 0.0567 0.0585 0.5
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0035 0.0005 0.0039
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0001 0.0001
Schistosoma mansoni hypothetical protein 0.0031 0.0001 0.0001
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.0001 0.0001
Loa Loa (eye worm) kinesin-like protein KLP2 0.1197 0.127 1
Echinococcus multilocularis kinesin family 1 0.9214 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0008 0.0061
Schistosoma mansoni hypothetical protein 0.0031 0.0001 0.0001
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0035 0.0005 0.0006
Loa Loa (eye worm) hypothetical protein 0.0068 0.004 0.0318
Loa Loa (eye worm) hypothetical protein 0.0099 0.0075 0.0587
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.0075 0.0587
Echinococcus multilocularis peregrin 0.0031 0.0001 0.0001
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0001 0.0005
Brugia malayi jmjC domain containing protein 0.0038 0.0008 0.0061
Schistosoma mansoni hypothetical protein 0.0031 0.0001 0.0001
Brugia malayi jmjC domain containing protein 0.0102 0.0078 0.0615
Brugia malayi PHD-finger family protein 0.0031 0.0001 0.0005
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0001 0.0006
Brugia malayi Bromodomain containing protein 0.0031 0.0001 0.0005
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.0075 0.0587
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0567 0.0585 0.46
Schistosoma mansoni hypothetical protein 0.0068 0.004 0.0046
Plasmodium vivax kinesin-5 0.1197 0.127 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0102 0.0078 0.0078
Brugia malayi Disco-interacting protein 2 homolog 0.0035 0.0005 0.0039
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.0075 0.0587
Echinococcus multilocularis GPCR, family 2 0.0031 0.0001 0.0001
Echinococcus granulosus jumonji domain containing protein 0.0044 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0031 0.0001 0.0006
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.0001 0.0001
Entamoeba histolytica kinesin, putative 0.1197 0.127 0.5
Toxoplasma gondii hypothetical protein 0.0078 0.0051 0.0397
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0102 0.0078 0.0078
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0001 0.0001
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0001 0.0001
Schistosoma mansoni kinesin eg-5 0.1197 0.127 0.146
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0567 0.0585 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0001 0.0006
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.004 0.0318
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0567 0.0585 0.5
Schistosoma mansoni hypothetical protein 0.0031 0.0001 0.0001
Toxoplasma gondii kinesin motor domain-containing protein 0.1197 0.127 1
Schistosoma mansoni hypothetical protein 0.8017 0.8697 1
Plasmodium falciparum kinesin-5 0.1197 0.127 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0001 0.0006
Loa Loa (eye worm) hypothetical protein 0.0054 0.0025 0.0196
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0001 0.0001
Onchocerca volvulus Alhambra homolog 0.0031 0.0001 0.1245
Echinococcus granulosus disco interacting protein 2 0.0035 0.0005 0.0005
Schistosoma mansoni jumonji domain containing protein 0.0081 0.0055 0.0063
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0008 0.0009
Giardia lamblia Kinesin-5 0.1197 0.127 1
Brugia malayi Kinesin motor domain containing protein 0.1197 0.127 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0008 0.0009
Onchocerca volvulus 0.0035 0.0005 1
Echinococcus granulosus peregrin 0.0031 0.0001 0.0001
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.0008 0.0008

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) NA 0 nM Inhibitory activity of the compound against gamma-secretase; not applicable ChEMBL. 15177469

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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