Detailed information for compound 519083

Basic information

Technical information
  • TDR Targets ID: 519083
  • Name: 6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol- 5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3- d]pyrimidin-4-amine
  • MW: 538.645 | Formula: C33H30N8
  • H donors: 2 H acceptors: 5 LogP: 4.74 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: Nc1ncnc2c1cc(c1ccccc1)c(n2)c1ccc(cc1)CN1CCC(CC1)c1n[nH]c(c1)c1ccncc1
  • InChi: 1S/C33H30N8/c34-32-28-18-27(23-4-2-1-3-5-23)31(38-33(28)37-21-36-32)26-8-6-22(7-9-26)20-41-16-12-25(13-17-41)30-19-29(39-40-30)24-10-14-35-15-11-24/h1-11,14-15,18-19,21,25H,12-13,16-17,20H2,(H,39,40)(H2,34,36,37,38)
  • InChiKey: AOWZAMGXVRSMQI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-phenyl-7-[4-[[4-[3-(4-pyridyl)-1H-pyrazol-5-yl]-1-piperidyl]methyl]phenyl]pyrido[2,3-d]pyrimidin-4-amine
  • 6-phenyl-7-[4-[[4-[3-(4-pyridyl)-1H-pyrazol-5-yl]-1-piperidinyl]methyl]phenyl]-4-pyrido[2,3-d]pyrimidinamine
  • [6-phenyl-7-[4-[[4-[3-(4-pyridyl)-1H-pyrazol-5-yl]piperidino]methyl]phenyl]pyrido[2,3-d]pyrimidin-4-yl]amine
  • 6-phenyl-7-[4-[[4-(5-pyridin-4-yl-2H-pyrazol-3-yl)piperidin-1-yl]methyl]phenyl]pyrido[3,2-e]pyrimidin-4-amine
  • 6-phenyl-7-[4-[[4-[5-(4-pyridyl)-2H-pyrazol-3-yl]-1-piperidyl]methyl]phenyl]pyrido[3,2-e]pyrimidin-4-amine
  • 6-phenyl-7-[4-[[4-[5-(4-pyridyl)-2H-pyrazol-3-yl]-1-piperidinyl]methyl]phenyl]-4-pyrido[3,2-e]pyrimidinamine
  • [6-phenyl-7-[4-[[4-[5-(4-pyridyl)-2H-pyrazol-3-yl]-1-piperidyl]methyl]phenyl]pyrido[3,2-e]pyrimidin-4-yl]amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens v-akt murine thymoma viral oncogene homolog 2 Starlite/ChEMBL References
Homo sapiens v-akt murine thymoma viral oncogene homolog 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Plasmodium vivax rac-beta serine/threonine protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis nervana 2 Get druggable targets OG5_126635 All targets in OG5_126635
Loa Loa (eye worm) AGC/RSK/P70 protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Brugia malayi p70 ribosomal S6 kinase beta Get druggable targets OG5_126635 All targets in OG5_126635
Neospora caninum Ribosomal protein S6 kinase alpha-6 (EC 2.7.11.1), related Get druggable targets OG5_126635 All targets in OG5_126635
Plasmodium knowlesi RAC-beta serine/threonine protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma congolense rac serine-threonine kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma cruzi Protein kinase B Get druggable targets OG5_126635 All targets in OG5_126635
Entamoeba histolytica PH domain containing protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum ko:K08792 serum/glucocorticoid regulated kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus sodium:potassium dependent atpase beta subunit Get druggable targets OG5_126635 All targets in OG5_126635
Toxoplasma gondii AGC kinase Get druggable targets OG5_126635 All targets in OG5_126635
Giardia lamblia Kinase, AGC PKA Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis Glutaredoxin protein 5 Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma cruzi rac serine-threonine kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis nervana 2 Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum Sodium/potassium-transporting ATPase subunit beta-1, putative Get druggable targets OG5_126635 All targets in OG5_126635
Loa Loa (eye worm) AGC/AKT protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Plasmodium falciparum RAC-beta serine/threonine protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma cruzi rac serine-threonine kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis rac serine:threonine kinase Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus nervana 2 Get druggable targets OG5_126635 All targets in OG5_126635
Entamoeba histolytica protein kinase 2, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma brucei rac serine-threonine kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Plasmodium berghei rac-beta serine/threonine protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma mansoni serine/threonine-protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma brucei gambiense rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus nervana 2 Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad Get druggable targets OG5_126635 All targets in OG5_126635
Entamoeba histolytica PH domain containing protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma mansoni serine/threonine-protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum RAC serine/threonine-protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus calcium:calmodulin dependent protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus serine threonine protein kinase nrc Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum ko:K04456 RAC serine/threonine-protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum ko:K07390 monothiol glutaredoxin, putative Get druggable targets OG5_126635 All targets in OG5_126635
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Candida albicans likely protein kinase similar to S. cerevisiae YPK2 (YMR104C) Get druggable targets OG5_126635 All targets in OG5_126635
Plasmodium yoelii kinase Akt/PKB-related Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus Glutaredoxin protein 5 Get druggable targets OG5_126635 All targets in OG5_126635
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Candida albicans protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus serine/threonine protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
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 AGC family protein kinase 0.009 0.3692 1
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0058 0.1734 0.2088
Loa Loa (eye worm) hypothetical protein 0.0138 0.6585 0.793
Brugia malayi Carboxylesterase family protein 0.0166 0.8304 0.938
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0058 0.1734 0.5
Trypanosoma cruzi Protein kinase B 0.0061 0.1886 1
Giardia lamblia Kinase, AGC PKA 0.0058 0.1734 0.5
Echinococcus multilocularis nervana 2 0.0058 0.1694 0.204
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0058 0.1734 0.5
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0058 0.1734 0.2088
Echinococcus multilocularis acetylcholinesterase 0.0166 0.8304 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0166 0.8304 1
Entamoeba histolytica protein kinase, putative 0.0088 0.354 0.9589
Entamoeba histolytica PH domain containing protein kinase, putative 0.0061 0.1886 0.5109
Schistosoma mansoni serine/threonine-protein kinase 0.0061 0.1886 0.2271
Echinococcus multilocularis acetylcholinesterase 0.0166 0.8304 1
Echinococcus granulosus serine/threonine protein kinase 0.0061 0.1886 0.2271
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0088 0.354 0.4263
Trichomonas vaginalis AGC family protein kinase 0.009 0.3692 1
Brugia malayi Amyloid A4 extracellular domain containing protein 0.0175 0.8852 1
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0058 0.1694 0.204
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0061 0.1886 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0166 0.8304 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0193 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.0416 0.0501
Echinococcus granulosus acetylcholinesterase 0.0166 0.8304 1
Entamoeba histolytica protein kinase, putative 0.009 0.3692 1
Loa Loa (eye worm) hypothetical protein 0.0166 0.8304 1
Toxoplasma gondii AGC kinase 0.0088 0.354 0.5
Entamoeba histolytica protein kinase, putative 0.009 0.3692 1
Loa Loa (eye worm) hypothetical protein 0.0166 0.8304 1
Trichomonas vaginalis AGC family protein kinase 0.009 0.3692 1
Schistosoma mansoni alzheimer's disease beta-amyloid related 0.0064 0.2055 0.2475
Trichomonas vaginalis AGC family protein kinase 0.009 0.3692 1
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0058 0.1694 0.204
Echinococcus multilocularis rac serine:threonine kinase 0.0061 0.1886 0.2271
Loa Loa (eye worm) carboxylesterase 0.0166 0.8304 1
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0152 0.0411
Brugia malayi p70 ribosomal S6 kinase beta 0.0088 0.354 0.3999
Entamoeba histolytica protein kinase 2, putative 0.0058 0.1734 0.4697
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.018 0.9166 0.5
Brugia malayi Protein kinase domain containing protein 0.009 0.3692 0.417
Echinococcus granulosus carboxylesterase 5A 0.0166 0.8304 1
Echinococcus granulosus serine threonine protein kinase nrc 0.0058 0.1734 0.2088
Echinococcus granulosus nervana 2 0.0058 0.1694 0.204
Loa Loa (eye worm) hypothetical protein 0.0074 0.2684 0.3232
Trichomonas vaginalis AGC family protein kinase 0.009 0.3692 1
Loa Loa (eye worm) AGC/AKT protein kinase 0.009 0.3692 0.4446
Echinococcus multilocularis carboxylesterase 5A 0.0166 0.8304 1
Trichomonas vaginalis AGC family protein kinase 0.009 0.3692 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0061 0.1886 0.5109
Brugia malayi Carboxylesterase family protein 0.0166 0.8304 0.938
Echinococcus multilocularis Glutaredoxin protein 5 0.0058 0.1694 0.204
Echinococcus granulosus nervana 2 0.0058 0.1694 0.204
Trypanosoma brucei rac serine-threonine kinase, putative 0.009 0.3692 0.5
Echinococcus multilocularis nervana 2 0.0058 0.1694 0.204
Echinococcus granulosus Glutaredoxin protein 5 0.0058 0.1694 0.204
Schistosoma mansoni serine/threonine-protein kinase 0.0061 0.1886 0.2271
Trichomonas vaginalis AGC family protein kinase 0.009 0.3692 1
Echinococcus granulosus acetylcholinesterase 0.0166 0.8304 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 21 nM Inhibition of human recombinant Akt1 ChEMBL. 18296048
IC50 (binding) = 21 nM Inhibition of human recombinant Akt1 ChEMBL. 18296048
IC50 (binding) = 85 nM Inhibition of human recombinant Akt2 ChEMBL. 18296048
IC50 (binding) = 85 nM Inhibition of human recombinant Akt2 ChEMBL. 18296048
IC50 (binding) = 463 nM Inhibition of Akt1 phosphorylation in human C33a cells ChEMBL. 18296048
IC50 (binding) = 463 nM Inhibition of Akt1 phosphorylation in human C33a cells ChEMBL. 18296048
IC50 (binding) = 1198 nM Inhibition of Akt2 phosphorylation in human C33a cells ChEMBL. 18296048
IC50 (binding) = 1198 nM Inhibition of Akt2 phosphorylation in human C33a cells ChEMBL. 18296048

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.

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