Detailed information for compound 1069497

Basic information

Technical information
  • TDR Targets ID: 1069497
  • Name: N-cyclohexyl-N'-(5-propan-2-yl-1,3,4-thiadiaz ol-2-yl)butanediamide
  • MW: 324.442 | Formula: C15H24N4O2S
  • H donors: 2 H acceptors: 4 LogP: 2.03 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1nnc(s1)NC(=O)CCC(=O)NC1CCCCC1)C
  • InChi: 1S/C15H24N4O2S/c1-10(2)14-18-19-15(22-14)17-13(21)9-8-12(20)16-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,16,20)(H,17,19,21)
  • InChiKey: ODSSRIDEBBTXLY-UHFFFAOYSA-N  

Network

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Synonyms

  • N-cyclohexyl-N'-(5-isopropyl-1,3,4-thiadiazol-2-yl)butanediamide
  • N-cyclohexyl-N'-(5-isopropyl-1,3,4-thiadiazol-2-yl)succinamide
  • SMR000437991
  • MLS000762398
  • N-Cyclohexyl-N'-(5-isopropyl-[1,3,4]thiadiazol-2-yl)-succinamide
  • STOCK4S-56680

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 rac serine:threonine kinase 0.1001 0.6568 1
Schistosoma mansoni serine/threonine-protein kinase 0.1001 0.6568 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0252 0.1129 0.1129
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.1409 0.9536 0.9536
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0483 0.2809 0.2809
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0937 0.6104 0.5
Entamoeba histolytica protein kinase, putative 0.1409 0.9536 0.9355
Echinococcus granulosus Glutaredoxin protein 5 0.0926 0.6029 0.8564
Entamoeba histolytica PH domain containing protein kinase, putative 0.1001 0.6568 0.5228
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0926 0.6029 0.8564
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0483 0.2809 0.2809
Echinococcus granulosus nervana 2 0.0926 0.6029 0.8564
Entamoeba histolytica PH domain containing protein kinase, putative 0.1001 0.6568 0.5228
Echinococcus multilocularis nervana 2 0.0926 0.6029 0.8564
Brugia malayi Cytochrome P450 family protein 0.0252 0.1129 0.1129
Echinococcus granulosus nervana 2 0.0926 0.6029 0.8564
Loa Loa (eye worm) hypothetical protein 0.0483 0.2809 0.2809
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0937 0.6104 0.8766
Entamoeba histolytica protein kinase 2, putative 0.0937 0.6104 0.4583
Trypanosoma cruzi rac serine-threonine kinase, putative 0.1001 0.6568 1
Brugia malayi Protein kinase domain containing protein 0.0483 0.2809 0.2809
Trichomonas vaginalis AGC family protein kinase 0.0547 0.3273 0.0743
Echinococcus multilocularis Glutaredoxin protein 5 0.0926 0.6029 0.8564
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0926 0.6029 0.8564
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0937 0.6104 0.9293
Echinococcus granulosus serine/threonine protein kinase 0.1001 0.6568 1
Brugia malayi Protein kinase domain containing protein 0.0483 0.2809 0.2809
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0937 0.6104 0.8766
Loa Loa (eye worm) AGC/NDR protein kinase 0.0483 0.2809 0.2809
Schistosoma mansoni serine/threonine-protein kinase 0.1001 0.6568 1
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0483 0.2809 0.2809
Brugia malayi protein kinase C II. 0.0483 0.2809 0.2809
Trichomonas vaginalis AGC family protein kinase 0.0483 0.2809 0.0104
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0937 0.6104 0.5
Trichomonas vaginalis AGC family protein kinase 0.0483 0.2809 0.0104
Trypanosoma cruzi Protein kinase B 0.1001 0.6568 1
Brugia malayi p70 ribosomal S6 kinase beta 0.1409 0.9536 0.9536
Trichomonas vaginalis AGC family protein kinase 0.0483 0.2809 0.0104
Toxoplasma gondii AGC kinase 0.1409 0.9536 0.5
Echinococcus granulosus serine threonine protein kinase nrc 0.0937 0.6104 0.8766
Loa Loa (eye worm) AGC/PKN protein kinase 0.0483 0.2809 0.2809
Giardia lamblia Kinase, AGC PKA 0.0937 0.6104 0.5
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0483 0.2809 0.2809
Echinococcus multilocularis nervana 2 0.0926 0.6029 0.8564
Brugia malayi Hr1 repeat family protein 0.0483 0.2809 0.2809

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.0787 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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