Detailed information for compound 820604

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 448.537 | Formula: C24H24N4O3S
  • H donors: 0 H acceptors: 3 LogP: 3.82 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cn2c(n1)scc2)N(Cc1ccccn1)Cc1cccc(c1)OCC1COCC1
  • InChi: 1S/C24H24N4O3S/c29-23(22-15-27-9-11-32-24(27)26-22)28(14-20-5-1-2-8-25-20)13-18-4-3-6-21(12-18)31-17-19-7-10-30-16-19/h1-6,8-9,11-12,15,19H,7,10,13-14,16-17H2
  • InChiKey: DMRNRBMFXXXLPQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Schistosoma mansoni tyrosine kinase 0.0572 0.2452 0.5222
Echinococcus granulosus serine:threonine protein kinase 12 B 0.031 0.129 0.2744
Schistosoma mansoni tyrosine kinase 0.0345 0.1448 0.3083
Schistosoma mansoni hypothetical protein 0.0176 0.0698 0.1485
Loa Loa (eye worm) hypothetical protein 0.0031 0.0052 0.0108
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU 0.2272 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0145 0.0305
Onchocerca volvulus Tyrosine kinase homolog 0.0305 0.1269 1
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.2272 1 0.5
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0345 0.1448 0.308
Echinococcus multilocularis epidermal growth factor receptor 0.1077 0.4696 1
Echinococcus granulosus epidermal growth factor receptor 0.1077 0.4696 1
Mycobacterium ulcerans bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase 0.2272 1 1
Loa Loa (eye worm) TK/EGFR protein kinase 0.1077 0.4696 1
Brugia malayi Furin-like cysteine rich region family protein 0.1077 0.4696 1
Trypanosoma cruzi aurora B kinase, putative 0.031 0.129 1
Trichomonas vaginalis AGC family protein kinase 0.031 0.129 0.5
Echinococcus multilocularis insulin receptor 0.0345 0.1448 0.308
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.031 0.129 0.5
Echinococcus granulosus epidermal growth factor receptor 0.058 0.2487 0.5295
Echinococcus granulosus insulin receptor 0.0345 0.1448 0.308
Schistosoma mansoni hypothetical protein 0.0176 0.0698 0.1485
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.031 0.129 0.5
Echinococcus multilocularis mitogen activated protein kinase 11 0.0129 0.0487 0.1034
Schistosoma mansoni Neurotrimin precursor (hNT) 0.002 0.0002 0.0003
Plasmodium falciparum serine/threonine protein kinase, putative 0.031 0.129 0.5
Treponema pallidum licC protein (licC) 0.0417 0.1764 0.5
Brugia malayi follicle stimulating hormone receptor 0.0241 0.0985 0.2095
Entamoeba histolytica protein kinase domain containing protein 0.031 0.129 0.5
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0129 0.0487 0.1034
Schistosoma mansoni hypothetical protein 0.0035 0.0072 0.0153
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0026 0.003 0.0061
Brugia malayi serine/threonine kinase 12 0.031 0.129 0.2744
Schistosoma mansoni tyrosine kinase 0.0345 0.1448 0.3083
Leishmania major protein kinase, putative 0.031 0.129 1
Echinococcus granulosus roundabout 2 0.0031 0.0052 0.0108
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0326 0.1363 0.29
Schistosoma mansoni cell adhesion molecule 0.0026 0.003 0.0064
Brugia malayi Immunoglobulin I-set domain containing protein 0.0326 0.1363 0.29
Trypanosoma brucei aurora B kinase 0.031 0.129 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0145 0.0305
Schistosoma mansoni tyrosine kinase 0.1077 0.4696 1
Entamoeba histolytica protein kinase, putative 0.031 0.129 0.5
Plasmodium vivax serine/threonine protein kinase 6, putative 0.031 0.129 0.5
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.031 0.129 0.5
Echinococcus multilocularis 0.0333 0.1392 0.2961
Brugia malayi P38 map kinase family protein 2 0.0129 0.0487 0.1034
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.058 0.2487 0.5295
Echinococcus multilocularis neuroglian 0.0025 0.0024 0.0048
Loa Loa (eye worm) hypothetical protein 0.0035 0.0072 0.0149
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.031 0.129 0.2744
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0345 0.1448 0.308
Echinococcus multilocularis roundabout 2 0.0031 0.0052 0.0108
Loa Loa (eye worm) hypothetical protein 0.0052 0.0145 0.0305
Echinococcus multilocularis mitogen activated protein kinase 14 0.0129 0.0487 0.1034
Echinococcus multilocularis geminin 0.0176 0.0698 0.1482
Echinococcus granulosus mitogen activated protein kinase 11 0.0129 0.0487 0.1034
Entamoeba histolytica protein kinase, putative 0.031 0.129 0.5
Loa Loa (eye worm) AUR protein kinase 0.031 0.129 0.2744
Echinococcus multilocularis epidermal growth factor receptor 0.058 0.2487 0.5295
Giardia lamblia Aurora kinase 0.031 0.129 0.5
Trichomonas vaginalis AGC family protein kinase 0.031 0.129 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0145 0.0305
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0072 0.0149
Echinococcus granulosus neuroglian 0.0025 0.0024 0.0048
Brugia malayi Protein kinase domain containing protein 0.0345 0.1448 0.308
Loa Loa (eye worm) hypothetical protein 0.0026 0.003 0.0061
Schistosoma mansoni tyrosine kinase 0.058 0.2487 0.5296
Schistosoma mansoni protein kinase 0.031 0.129 0.2746
Toxoplasma gondii eukaryotic initiation factor-2B, gamma subunit, putative 0.0417 0.1764 1
Brugia malayi serine/threonine protein kinase 6 0.031 0.129 0.2744
Loa Loa (eye worm) AUR protein kinase 0.031 0.129 0.2744
Echinococcus granulosus geminin 0.0176 0.0698 0.1482
Schistosoma mansoni tyrosine kinase 0.0572 0.2452 0.5222
Loa Loa (eye worm) TK/INSR protein kinase 0.0345 0.1448 0.308
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.002 0.0002 0.0003
Schistosoma mansoni nephrin 0.0025 0.0024 0.0051
Schistosoma mansoni tyrosine kinase 0.0572 0.2452 0.5222
Trichomonas vaginalis AGC family protein kinase 0.031 0.129 0.5
Echinococcus multilocularis aurora kinase A 0.031 0.129 0.2744
Loa Loa (eye worm) AUR protein kinase 0.031 0.129 0.2744
Echinococcus granulosus aurora kinase A 0.031 0.129 0.2744
Echinococcus granulosus mitogen activated protein kinase 14 0.0129 0.0487 0.1034
Schistosoma mansoni tyrosine kinase 0.058 0.2487 0.5296
Echinococcus multilocularis mitogen activated protein kinase 11 0.0129 0.0487 0.1034
Entamoeba histolytica protein kinase , putative 0.031 0.129 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0241 0.0985 0.2095
Schistosoma mansoni vesicular amine transporter 0.002 0.0002 0.0003
Trichomonas vaginalis AGC family protein kinase 0.031 0.129 0.5
Schistosoma mansoni serine/threonine protein kinase 0.031 0.129 0.2746
Brugia malayi serine/threonine-protein kinase 6 0.031 0.129 0.2744
Loa Loa (eye worm) hypothetical protein 0.0031 0.0052 0.0108
Echinococcus granulosus twitchin 0.0028 0.0037 0.0076
Echinococcus multilocularis mitogen activated protein kinase 14 0.0129 0.0487 0.1034

Activities

No activities found for this compound.

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

No literature references available for this target.

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