Detailed information for compound 1819424

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 395.478 | Formula: C20H21N5O2S
  • H donors: 2 H acceptors: 4 LogP: 3.08 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C(/c1ccc(cc1)NC(=O)CSc1nnc(n1CC)c1ccccc1)\C
  • InChi: 1S/C20H21N5O2S/c1-3-25-19(16-7-5-4-6-8-16)22-23-20(25)28-13-18(26)21-17-11-9-15(10-12-17)14(2)24-27/h4-12,27H,3,13H2,1-2H3,(H,21,26)/b24-14+
  • InChiKey: GUYZGYGZUXQRHD-ZVHZXABRSA-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
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.4101 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.074 0.1597 0.9538
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.031 0.0521 0.0453
Trypanosoma brucei protein kinase, putative 0.4101 1 1
Giardia lamblia Kinase, CMGC MAPK 0.4101 1 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.4101 1 1
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0139 0.0094 0.0023
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.031 0.0521 0.0453
Loa Loa (eye worm) hypothetical protein 0.0246 0.0361 0.0361
Schistosoma mansoni serine/threonine protein kinase 0.4101 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.031 0.0521 0.0453
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0143 0.0104 0.0033
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.077 0.1671 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0913 0.2029 0.1972
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.077 0.1671 0.1612
Trichomonas vaginalis CMGC family protein kinase 0.4101 1 1
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0913 0.2029 0.1972
Trichomonas vaginalis CMGC family protein kinase 0.4101 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0139 0.0094 0.0023
Entamoeba histolytica hypothetical protein 0.0599 0.1245 0.7333
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0139 0.0094 0.0023
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.4101 1 1
Echinococcus granulosus mitogen activated protein kinase 0.4101 1 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0402 0.0752 0.0686
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0913 0.2029 0.1972
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.4101 1 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.4101 1 1
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0139 0.0094 0.5
Leishmania major phosphatidylinositol 3-kinase, putative 0.0139 0.0094 0.0023
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.028 0.0447 0.0378
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.077 0.1671 0.1612
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.031 0.0521 0.0453
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.4101 1 1
Loa Loa (eye worm) hypothetical protein 0.0621 0.1298 0.1298
Trichomonas vaginalis CMGC family protein kinase 0.4101 1 1
Trichomonas vaginalis CMGC family protein kinase 0.4101 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0626 0.1311 0.1249
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0397 0.0739 0.4177
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.077 0.1671 0.1612
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.077 0.1671 0.1612
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0139 0.0094 0.5
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.013 0.0071 0.0071
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.077 0.1671 0.1612
Echinococcus multilocularis mitogen activated protein kinase 0.4101 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.031 0.0521 0.0453
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0621 0.1298 0.1236
Echinococcus granulosus mitogen activated protein kinase 3 0.4101 1 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.4101 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.031 0.0521 0.0453
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0354 0.063 0.3493
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0376 0.0686 0.045
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.077 0.1671 0.1612
Echinococcus multilocularis mitogen activated protein kinase 3 0.4101 1 1
Echinococcus multilocularis Zinc finger, PHD finger 0.0139 0.0094 0.0023
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0599 0.1245 0.7333
Loa Loa (eye worm) phosphatidylinositol 3 0.028 0.0447 0.0447
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.4101 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.031 0.0521 0.2809
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0546 0.1112 0.1049
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0621 0.1298 0.1236
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0139 0.0094 0.0023
Loa Loa (eye worm) phosphatidylinositol 3 0.0742 0.1602 0.1602
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0546 0.1112 0.1049
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.4101 1 1

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.

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