Detailed information for compound 2216921

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 568.209 | Formula: C29H33ClN4O6
  • H donors: 2 H acceptors: 4 LogP: 3.89 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@H]1COC2C1OC[C@@H]2Oc1nc2c([nH]1)nc(c(c2)Cl)c1ccc(cc1)[C@@H]1CC[C@H](CC1)OC(=O)N1CCCC1
  • InChi: InChI=1S/C29H33ClN4O6/c30-20-13-21-27(33-28(31-21)40-23-15-38-25-22(35)14-37-26(23)25)32-24(20)18-5-3-16(4-6-18)17-7-9-19(10-8-17)39-29(36)34-11-1-2-12-34/h3-6,13,17,19,22-23,25-26,35H,1-2,7-12,14-15H2,(H,31,32,33)/t17-,19-,22-,23-,25?,26?/m0/s1
  • InChiKey: ZUPSWAVAKGLOSO-NQMLVQHGSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens protein kinase, AMP-activated, alpha 1 catalytic subunit No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania major serine/threonine protein kinase, putative,protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Echinococcus multilocularis 5' AMP activated protein kinase catalytic Get druggable targets OG5_126655 All targets in OG5_126655
Loa Loa (eye worm) CAMK/CAMKL/BRSK protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Trypanosoma brucei gambiense serine/threonine protein kinase, putative,protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Neospora caninum hypothetical protein Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Echinococcus granulosus 5' AMP activated protein kinase catalytic Get druggable targets OG5_126655 All targets in OG5_126655
Candida albicans similar to S. cerevisiae HSL1 (YKL101W) serine/threonine-protein kinase involved in cell cycle control Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma japonicum ko:K07198 5'-AMP-activated protein kinase, catalytic alpha subunit, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Echinococcus granulosus serine:threonine kinase SAD 1 Get druggable targets OG5_126655 All targets in OG5_126655
Trypanosoma brucei 5'-AMP-activated protein kinase catalytic subunit alpha, putative Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania braziliensis serine/threonine protein kinase, putative,protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Trypanosoma brucei gambiense protein kinase, putative,SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania infantum serine/threonine protein kinase, putative,protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Theileria parva 5'-AMP-activated protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Cryptosporidium parvum OSK4, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania donovani SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania donovani 5'-AMP-activated protein kinase catalytic subunit alpha, putative Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania mexicana protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trypanosoma brucei SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma japonicum MAP/microtubule affinity-regulating kinase 4, putative Get druggable targets OG5_126655 All targets in OG5_126655
Babesia bovis protein kinase domain containing protein Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma japonicum ko:K08796 BR serine/threonine kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma japonicum HD domain-containing protein 2 homolog, putative Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania braziliensis protein kinase, putative,SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655
Giardia lamblia Kinase, CAMK CAMKL Get druggable targets OG5_126655 All targets in OG5_126655
Candida albicans similar to S. cerevisiae HSL1 (YKL101W) serine/threonine-protein kinase involved in cell cycle control Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania mexicana serine/threonine protein kinase, putative,protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Candida albicans protein serine/threonine kinase Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania major protein kinase, putative,SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Giardia lamblia Kinase, CAMK CAMKL Get druggable targets OG5_126655 All targets in OG5_126655
Toxoplasma gondii histone kinase SNF1, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Trypanosoma cruzi SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126655 All targets in OG5_126655
Trypanosoma cruzi 5'-AMP-activated protein kinase catalytic subunit alpha, putative Get druggable targets OG5_126655 All targets in OG5_126655
Brugia malayi hypothetical protein Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Brugia malayi EST embl|AI107989|AI107989 comes from the 3' UTR, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Candida albicans bud neck kinase Get druggable targets OG5_126655 All targets in OG5_126655
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126655 All targets in OG5_126655
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Candida albicans bud neck kinase Get druggable targets OG5_126655 All targets in OG5_126655
Echinococcus multilocularis serine:threonine kinase SAD 1 Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Plasmodium vivax serine/threonine protein kinase KIN, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Candida albicans protein serine/threonine kinase Get druggable targets OG5_126655 All targets in OG5_126655
Plasmodium knowlesi serine/threonine protein kinase KIN, putative Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Plasmodium falciparum serine/threonine protein kinase KIN Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania infantum protein kinase, putative,SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655
Brugia malayi putative serine/threonine kinase SADA gamma Get druggable targets OG5_126655 All targets in OG5_126655
Loa Loa (eye worm) CAMK/CAMKL/AMPK protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Trypanosoma congolense SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655

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
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Trypanosoma cruzi 5'-AMP-activated protein kinase catalytic subunit alpha, putative 0.0027 0 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Toxoplasma gondii histone kinase SNF1, putative 0.0027 0 0.5
Plasmodium falciparum serine/threonine protein kinase KIN 0.0027 0 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Trypanosoma brucei 5'-AMP-activated protein kinase catalytic subunit alpha, putative 0.0027 0 0.5
Giardia lamblia Kinase, CAMK CAMKL 0.0027 0 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Entamoeba histolytica serine/threonine protein kinase, putative 0.0027 0 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Leishmania major serine/threonine protein kinase, putative,protein kinase, putative 0.0027 0 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Echinococcus multilocularis 5' AMP activated protein kinase catalytic 0.0143 1 1
Echinococcus granulosus 5' AMP activated protein kinase catalytic 0.0143 1 1
Trypanosoma cruzi SNF1-related protein kinases, putative 0.0027 0 0.5
Leishmania major protein kinase, putative,SNF1-related protein kinases, putative 0.0027 0 0.5
Plasmodium vivax serine/threonine protein kinase KIN, putative 0.0027 0 0.5
Trypanosoma brucei SNF1-related protein kinases, putative 0.0027 0 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Loa Loa (eye worm) CAMK/CAMKL/AMPK protein kinase 0.0143 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0143 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Giardia lamblia Kinase, CAMK CAMKL 0.0027 0 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 17 nM AMPK Activation Assay BINDINGDB. No reference

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.