Detailed information for compound 1592492

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 309.323 | Formula: C16H15N5O2
  • H donors: 3 H acceptors: 3 LogP: 0.8 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc2c(c1)n1CCCNC(=O)c1c2)Nc1c[nH]nc1
  • InChi: 1S/C16H15N5O2/c22-15(20-12-8-18-19-9-12)11-3-2-10-6-14-16(23)17-4-1-5-21(14)13(10)7-11/h2-3,6-9H,1,4-5H2,(H,17,23)(H,18,19)(H,20,22)
  • InChiKey: ULNZFQKAFXCYBO-UHFFFAOYSA-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 ribosomal protein S6 kinase, 90kDa, polypeptide 2 No references
Homo sapiens ribosomal protein S6 kinase, 90kDa, polypeptide 3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans Serine/threonine protein kinase Get druggable targets OG5_128147 All targets in OG5_128147
Schistosoma japonicum IPR000719,Protein kinase;IPR011009,Protein kinase-like,domain-containing Get druggable targets OG5_128147 All targets in OG5_128147
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 Get druggable targets OG5_128147 All targets in OG5_128147
Giardia lamblia Kinase, AGC AKT Get druggable targets OG5_128147 All targets in OG5_128147
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
Loa Loa (eye worm) AGC/RSK/RSK protein kinase Get druggable targets OG5_128147 All targets in OG5_128147
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 Get druggable targets OG5_128147 All targets in OG5_128147
Leishmania mexicana rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
Leishmania braziliensis rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
Brugia malayi ribosomal protein S6 kinase alpha 3 Get druggable targets OG5_128147 All targets in OG5_128147
Candida albicans Serine/threonine protein kinase Get druggable targets OG5_128147 All targets in OG5_128147
Leishmania infantum rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
Leishmania donovani rac serine-threonine kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_128147 All targets in OG5_128147
Schistosoma japonicum IPR000719,Protein kinase,domain-containing Get druggable targets OG5_128147 All targets in OG5_128147
Schistosoma japonicum Ribosomal protein S6 kinase alpha-2, putative Get druggable targets OG5_128147 All targets in OG5_128147

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 Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0783 0.2336
Brugia malayi Papain family cysteine protease containing protein 0.0014 0.0216 0.0253
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.0783 0.2962
Brugia malayi Proteasome A-type and B-type family protein 0.0069 0.2644 0.3103
Trypanosoma cruzi cysteine proteinase, putative 0.0014 0.0216 0.0817
Brugia malayi Cathepsin L-like precursor 0.0027 0.0783 0.0919
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0034 0.1125 0.0929
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0034 0.1125 0.1125
Entamoeba histolytica cysteine proteinase, putative 0.0027 0.0783 0.2336
Schistosoma mansoni serine/threonine kinase 0.0034 0.1125 0.1125
Loa Loa (eye worm) hypothetical protein 0.0027 0.0783 0.0783
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0396 0.0396
Leishmania major proteasome beta 5 subunit, putative 0.0069 0.2644 0.2405
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0069 0.2644 0.5
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0069 0.2644 0.2644
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0034 0.1125 0.1125
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0783 0.2336
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0783 0.2336
Echinococcus multilocularis protein kinase c epsilon type 0.0034 0.1125 0.0929
Echinococcus granulosus cathepsin l1 0.0027 0.0783 0.058
Trichomonas vaginalis AGC family protein kinase 0.0034 0.1125 0.3744
Schistosoma mansoni serine/threonine protein kinase 0.0236 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0027 0.0783 0.0783
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0069 0.2644 1
Brugia malayi Cathepsin L-like precursor 0.0027 0.0783 0.0919
Plasmodium falciparum cysteine proteinase falcipain 3 0.0027 0.0783 0.2336
Plasmodium falciparum proteasome subunit beta type-5 0.0069 0.2644 1
Echinococcus multilocularis cysteine protease 0.0027 0.0783 0.058
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0783 0.2336
Trypanosoma brucei rac serine-threonine kinase, putative 0.0034 0.1125 0.3744
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0069 0.2644 1
Plasmodium vivax vivapain-3 0.0014 0.0216 0.0817
Brugia malayi p70 ribosomal S6 kinase beta 0.0034 0.1125 0.132
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.1125 0.1125
Trichomonas vaginalis AGC family protein kinase 0.0034 0.1125 0.3744
Entamoeba histolytica protein kinase, putative 0.0034 0.1125 0.3744
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.1125 0.1125
Echinococcus granulosus cathepsin l1 0.0018 0.0396 0.0185
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0783 0.2336
Loa Loa (eye worm) hypothetical protein 0.0034 0.1125 0.1125
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0783 0.2336
Echinococcus multilocularis serine:threonine protein kinase 38 0.0034 0.1125 0.0929
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0034 0.1125 0.0929
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0027 0.0783 0.2336
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0783 0.2336
Echinococcus multilocularis cysteine protease 0.0027 0.0783 0.058
Entamoeba histolytica protein kinase, putative 0.0034 0.1125 0.3744
Loa Loa (eye worm) cysteine protease 0.0027 0.0783 0.0783
Toxoplasma gondii proteasome subunit beta type, putative 0.0069 0.2644 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0783 0.2336
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0014 0.0216 0.0216
Trypanosoma cruzi cysteine protease, putative 0.0014 0.0216 0.0817
Trichomonas vaginalis AGC family protein kinase 0.0034 0.1125 0.3744
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0034 0.1125 0.1125
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.0783 0.2962
Loa Loa (eye worm) AGC/NDR protein kinase 0.0034 0.1125 0.1125
Loa Loa (eye worm) AGC/PKN protein kinase 0.0034 0.1125 0.1125
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0783 0.2336
Brugia malayi protein kinase C II. 0.0034 0.1125 0.132
Loa Loa (eye worm) ctsf protein 0.0027 0.0783 0.0783
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0783 0.2336
Plasmodium vivax proteasome subunit beta type-5, putative 0.0069 0.2644 1
Brugia malayi ribosomal protein S6 kinase alpha 3 0.0203 0.8521 1
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0034 0.1125 0.1125
Echinococcus granulosus Protein kinase C brain isozyme 0.0034 0.1125 0.0929
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.0783 0.2962
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.1125 0.1125
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0783 0.2336
Echinococcus granulosus serine:threonine protein kinase N2 0.0034 0.1125 0.0929
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0783 0.2336
Trichomonas vaginalis AGC family protein kinase 0.0034 0.1125 0.3744
Loa Loa (eye worm) hypothetical protein 0.0018 0.0396 0.0396
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0034 0.1125 0.0929
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0783 0.2336
Brugia malayi Cathepsin L-like precursor 0.0027 0.0783 0.0919
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0783 0.2336
Brugia malayi Protein kinase domain containing protein 0.0034 0.1125 0.132
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0027 0.0783 0.0783
Plasmodium vivax vivapain-2 0.0027 0.0783 0.2962
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0783 0.2336
Trypanosoma cruzi cruzipain precursor, putative 0.0027 0.0783 0.2962
Brugia malayi cathepsin L-like precursor 0.0018 0.0396 0.0465
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0783 0.2336
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0783 0.2336
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0396 0.0743
Trichomonas vaginalis AGC family protein kinase 0.0034 0.1125 0.3744
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0783 0.2336
Onchocerca volvulus 0.0027 0.0783 1
Entamoeba histolytica cysteine proteinase, putative 0.0018 0.0396 0.0743
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0783 0.2336
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0027 0.0783 0.0783
Onchocerca volvulus 0.0027 0.0783 1
Entamoeba histolytica protein kinase, putative 0.0034 0.1125 0.3744
Schistosoma mansoni cathepsin F (C01 family) 0.0027 0.0783 0.0783
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0783 0.2336
Echinococcus granulosus NDR protein kinase 0.0034 0.1125 0.0929
Echinococcus granulosus proteasome prosome macropain 0.0069 0.2644 0.2482
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0027 0.0783 0.2336
Brugia malayi Papain family cysteine protease containing protein 0.0027 0.0783 0.0919
Toxoplasma gondii AGC kinase 0.0034 0.1125 0.1836
Entamoeba histolytica protein kinase, putative 0.0034 0.1125 0.3744
Echinococcus multilocularis proteasome (prosome, macropain) 0.0069 0.2644 0.2482
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0027 0.0783 0.2336
Echinococcus multilocularis serine threonine protein kinase 0.0034 0.1125 0.0929
Echinococcus multilocularis protein kinase c iota type 0.0034 0.1125 0.0929
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.0203 0.8521 1
Onchocerca volvulus 0.0027 0.0783 1
Brugia malayi Protein kinase domain containing protein 0.0034 0.1125 0.132
Entamoeba histolytica cysteine protease, putative 0.0027 0.0783 0.2336
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0014 0.0216 0.0817
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0783 0.2336
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0069 0.2644 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0069 0.2644 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0396 0.0396
Brugia malayi Papain family cysteine protease containing protein 0.0014 0.0216 0.0253
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0014 0.0216 0.0216
Brugia malayi Cathepsin L-like precursor 0.0018 0.0396 0.0465
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0034 0.1125 0.0929
Trypanosoma cruzi cysteine proteinase, putative 0.0014 0.0216 0.0817
Schistosoma mansoni atypical protein kinase C 0.0034 0.1125 0.1125
Brugia malayi Cathepsin L-like precursor 0.0027 0.0783 0.0919
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0018 0.0396 0.1499
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0236 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0783 0.2336
Brugia malayi Cathepsin L-like cysteine proteinase 0.0018 0.0396 0.0465
Echinococcus multilocularis serine:threonine protein kinase N2 0.0034 0.1125 0.0929
Brugia malayi Cathepsin L-like precursor 0.0018 0.0396 0.0465
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0783 0.2336
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0783 0.2336
Loa Loa (eye worm) AGC/AKT protein kinase 0.0034 0.1125 0.1125
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.1125 0.1125
Onchocerca volvulus 0.0027 0.0783 1
Giardia lamblia Kinase, AGC AKT 0.0203 0.8521 1
Echinococcus granulosus protein kinase c iota type 0.0034 0.1125 0.0929
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0069 0.2644 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0783 0.2336
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0034 0.1125 0.0929
Trichomonas vaginalis AGC family protein kinase 0.0034 0.1125 0.3744
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0069 0.2644 0.2644
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0783 0.2336
Onchocerca volvulus Cathepsin F homolog 0.0027 0.0783 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0783 0.2336
Echinococcus multilocularis cathepsin L cysteine protease 0.0027 0.0783 0.058
Brugia malayi Cathepsin L-like precursor 0.0027 0.0783 0.0919
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0034 0.1092 0.3609
Brugia malayi Cathepsin L-like precursor 0.0027 0.0783 0.0919
Trichomonas vaginalis AGC family protein kinase 0.0034 0.1125 0.3744
Loa Loa (eye worm) fibroinase 0.0027 0.0783 0.0783
Trichomonas vaginalis AGC family protein kinase 0.0034 0.1125 0.3744
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0027 0.0783 0.058
Onchocerca volvulus 0.0027 0.0783 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0396 0.0396
Plasmodium vivax vivapain-2 0.0027 0.0783 0.2962
Onchocerca volvulus 0.0027 0.0783 1
Trichomonas vaginalis AGC family protein kinase 0.0034 0.1125 0.3744
Brugia malayi Hr1 repeat family protein 0.0034 0.1125 0.132
Trichomonas vaginalis AGC family protein kinase 0.0034 0.1125 0.3744
Echinococcus granulosus cathepsin L cysteine proteinase 0.0027 0.0783 0.058
Entamoeba histolytica cysteine proteinase, putative 0.0027 0.0783 0.2336
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0783 0.2336
Trichomonas vaginalis AGC family protein kinase 0.0034 0.1125 0.3744
Plasmodium vivax vivapain-1 0.0014 0.0216 0.0817
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.0783 0.2962
Plasmodium vivax unspecified product 0.0014 0.0216 0.0817
Brugia malayi Protein kinase domain containing protein 0.0034 0.1125 0.132
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0783 0.2336
Echinococcus granulosus protein kinase C gamma type 0.0034 0.1125 0.0929
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0396 0.0743
Onchocerca volvulus Cathepsin L homolog 0.0027 0.0783 1
Onchocerca volvulus Cathepsin L homolog 0.0027 0.0783 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0783 0.2336
Echinococcus multilocularis cathepsin L cysteine protease 0.0027 0.0783 0.058
Echinococcus granulosus cathepsin l cysteine peptidase 0.0027 0.0783 0.058
Echinococcus multilocularis serine:threonine protein kinase N2 0.0034 0.1125 0.0929
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0027 0.0783 0.2336
Trypanosoma cruzi cysteine peptidase, putative 0.0014 0.0216 0.0817
Echinococcus granulosus protein kinase c epsilon type 0.0034 0.1125 0.0929
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0069 0.2644 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0783 0.2336
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0783 0.2336
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0236 1 1
Mycobacterium ulcerans proteasome PrcB 0.0069 0.2644 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.1125 0.1125
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0783 0.2336
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0783 0.2336
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.1125 0.1125
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0014 0.0216 0.0216
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0027 0.0783 0.058
Onchocerca volvulus 0.0027 0.0783 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 43 nM Inhibition of RSK2 phosphorylation by luminescence assay ChEMBL. 22100312
IC50 (binding) = 43 nM Kinase Glo Plus Assay BINDINGDB. No reference
IC50 (binding) > 10000 nM Inhibition of RSK2-mediated CREB phosphorylation in HeLa cells expressing luciferase reporter gene ChEMBL. 22100312

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

1 literature reference was collected for this gene.

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