Detailed information for compound 2182374

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 454.098 | Formula: C21H19ClN6O2S
  • H donors: 3 H acceptors: 4 LogP: 3.66 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 0
  • SMILES: CN(C(=O)c1cc(ccc1Cl)NC1(CC1)C(=O)Nc1nc2c(s1)c1cn[nH]c1cc2)C
  • InChi: InChI=1S/C21H19ClN6O2S/c1-28(2)18(29)12-9-11(3-4-14(12)22)26-21(7-8-21)19(30)25-20-24-16-6-5-15-13(10-23-27-15)17(16)31-20/h3-6,9-10,26H,7-8H2,1-2H3,(H,23,27)(H,24,25,30)
  • InChiKey: DSHMLSVGGBWFEI-UHFFFAOYSA-N  

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
Entamoeba histolytica protein kinase, putative 0.0069 0.1468 0.8703
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0053 0.0865 0.0865
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0485 0.078
Brugia malayi Protein kinase domain containing protein 0.0053 0.0865 0.0399
Trichomonas vaginalis AGC family protein kinase 0.0069 0.1468 0.8805
Trypanosoma cruzi aurora B kinase, putative 0.0069 0.1468 0.8047
Trichomonas vaginalis cyclin B, putative 0.0073 0.1615 1
Echinococcus multilocularis cyclin dependent kinase 1 0.0053 0.0865 0.1437
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0069 0.1468 0.8703
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.0865 0.1437
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0053 0.0865 0.1437
Toxoplasma gondii aurora kinase 0.0069 0.1468 1
Trichomonas vaginalis cyclins, putative 0.0073 0.1615 1
Entamoeba histolytica protein kinase , putative 0.0069 0.1468 0.8703
Trypanosoma cruzi cyclin, putative 0.0073 0.1615 1
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0865 0.3878
Echinococcus granulosus cyclin dependent kinase 1 0.0053 0.0865 0.1437
Trichomonas vaginalis cyclin B, putative 0.0043 0.0485 0.078
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0069 0.1468 0.3722
Trypanosoma cruzi cyclin, putative 0.0073 0.1615 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0053 0.0865 0.336
Trichomonas vaginalis AGC family protein kinase 0.0069 0.1468 0.8805
Echinococcus granulosus beta-adrenergic receptor kinase 0.0113 0.3126 1
Trichomonas vaginalis cyclins, putative 0.0073 0.1615 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.1615 0.1615
Brugia malayi Cyclin, N-terminal domain containing protein 0.0073 0.1615 0.1187
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0069 0.1468 0.8703
Giardia lamblia Kinase, CMGC CDK 0.0053 0.0865 0.336
Loa Loa (eye worm) cyclin domain-containing protein 0.0295 1 1
Echinococcus granulosus cyclin dependent kinase 0.0053 0.0865 0.1437
Leishmania major protein kinase, putative 0.0069 0.1468 0.8047
Schistosoma mansoni serine/threonine protein kinase 0.0113 0.3126 1
Echinococcus granulosus G protein coupled receptor kinase 1 0.0101 0.269 0.8349
Trypanosoma brucei mitotic cyclin 6 0.0073 0.1615 1
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0113 0.3126 0.3126
Echinococcus multilocularis G protein coupled receptor kinase 1 0.0101 0.269 0.8349
Echinococcus multilocularis beta adrenergic receptor kinase 0.0113 0.3126 1
Schistosoma mansoni serine/threonine protein kinase 0.0113 0.3126 1
Trypanosoma brucei aurora B kinase 0.0069 0.1468 0.8047
Leishmania major cyclin 0.0073 0.1615 1
Loa Loa (eye worm) cyclin domain-containing protein 0.0043 0.0485 0.0485
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0069 0.1468 0.3722
Loa Loa (eye worm) AUR protein kinase 0.0069 0.1468 0.1468
Trichomonas vaginalis cyclin A, putative 0.0073 0.1615 1
Entamoeba histolytica cyclin, putative 0.0073 0.1615 1
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0073 0.1615 1
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0865 0.3878
Schistosoma mansoni cyclin B 0.0073 0.1615 0.4277
Echinococcus granulosus aurora kinase A 0.0069 0.1468 0.3722
Brugia malayi serine/threonine-protein kinase 6 0.0069 0.1468 0.1033
Echinococcus granulosus cyclin B 0.0073 0.1615 0.4277
Loa Loa (eye worm) AUR protein kinase 0.0069 0.1468 0.1468
Brugia malayi serine/threonine protein kinase 6 0.0069 0.1468 0.1033
Loa Loa (eye worm) hypothetical protein 0.0073 0.1615 0.1615
Trichomonas vaginalis cyclin B, putative 0.0073 0.1615 1
Trichomonas vaginalis cyclin D, putative 0.0043 0.0485 0.078
Onchocerca volvulus 0.0073 0.1615 0.5
Loa Loa (eye worm) AUR protein kinase 0.0069 0.1468 0.1468
Trichomonas vaginalis cyclin B, putative 0.0073 0.1615 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0812 0.0812
Schistosoma mansoni protein kinase 0.0069 0.1468 0.3722
Echinococcus multilocularis aurora kinase A 0.0069 0.1468 0.3722
Plasmodium falciparum protein kinase 5 0.0053 0.0865 0.386
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0053 0.0865 0.0865
Trypanosoma cruzi cyclin 6, putative 0.0073 0.1615 1
Giardia lamblia G2/mitotic-specific cyclin B 0.0073 0.1615 1
Schistosoma mansoni serine/threonine protein kinase 0.0069 0.1468 0.3722
Entamoeba histolytica protein kinase domain containing protein 0.0069 0.1468 0.8703
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0069 0.1468 0.8703
Trichomonas vaginalis cyclin D, putative 0.0043 0.0485 0.078
Trichomonas vaginalis AGC family protein kinase 0.0069 0.1468 0.8805
Giardia lamblia Kinase, CMGC CDK 0.0053 0.0865 0.336
Entamoeba histolytica cell division protein kinase 2, putative 0.0053 0.0865 0.336
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0053 0.0865 0.5603
Trypanosoma cruzi CYC2-like cyclin, putative 0.0073 0.1615 1
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0069 0.1468 1
Brugia malayi cell division control protein 2 homolog 0.0053 0.0865 0.0399
Echinococcus multilocularis cyclin B 0.0073 0.1615 0.4277
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0865 0.3878
Trichomonas vaginalis cyclin B, putative 0.0073 0.1615 1
Trichomonas vaginalis cyclins, putative 0.0043 0.0485 0.078
Brugia malayi Cyclin, N-terminal domain containing protein 0.0073 0.1615 0.1187
Echinococcus granulosus cyclin dependent kinase 5 0.0053 0.0865 0.1437
Trichomonas vaginalis cyclins, putative 0.0073 0.1615 1
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.0865 0.1437
Entamoeba histolytica protein kinase, putative 0.0069 0.1468 0.8703
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0053 0.0865 0.0865
Echinococcus multilocularis cyclin dependent kinase 5 0.0053 0.0865 0.1437
Trichomonas vaginalis AGC family protein kinase 0.0069 0.1468 0.8805
Brugia malayi serine/threonine kinase 12 0.0069 0.1468 0.1033
Giardia lamblia Aurora kinase 0.0069 0.1468 0.8703
Trichomonas vaginalis cyclins, putative 0.0073 0.1615 1
Plasmodium falciparum serine/threonine protein kinase, putative 0.0069 0.1468 1
Echinococcus multilocularis cyclin dependent kinase 0.0053 0.0865 0.1437
Echinococcus multilocularis cyclin dependent kinase 1 0.0053 0.0865 0.1437
Trichomonas vaginalis cyclin B3, putative 0.0043 0.0485 0.078

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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