Detailed information for compound 436917

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 458.511 | Formula: C29H22N4O2
  • H donors: 3 H acceptors: 4 LogP: 4.51 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)c1ccc(cc1)c1n[nH]c2c1Cc1c2ccc(c1)C(=O)NCc1ccncc1
  • InChi: 1S/C29H22N4O2/c34-24-8-5-20(6-9-24)19-1-3-21(4-2-19)27-26-16-23-15-22(7-10-25(23)28(26)33-32-27)29(35)31-17-18-11-13-30-14-12-18/h1-15,34H,16-17H2,(H,31,35)(H,32,33)
  • InChiKey: FTEBJMPQIWYFGP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens checkpoint kinase 1 Starlite/ChEMBL References
Homo sapiens serum/glucocorticoid regulated kinase 1 Starlite/ChEMBL References
Homo sapiens v-akt murine thymoma viral oncogene homolog 1 Starlite/ChEMBL References
Homo sapiens checkpoint kinase 2 Starlite/ChEMBL References
Homo sapiens v-akt murine thymoma viral oncogene homolog 2 References
Homo sapiens protein kinase C, gamma Starlite/ChEMBL References
Homo sapiens v-akt murine thymoma viral oncogene homolog 3 References
Homo sapiens MAP/microtubule affinity-regulating kinase 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_129482 All targets in OG5_129482
Trypanosoma congolense rac serine-threonine kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus serine:threonine protein kinase MARK2 Get druggable targets OG5_128024 All targets in OG5_128024
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_128695 All targets in OG5_128695
Loa Loa (eye worm) CAMK/CAMKL/MARK protein kinase Get druggable targets OG5_128024 All targets in OG5_128024
Echinococcus multilocularis nervana 2 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
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_128695 All targets in OG5_128695
Schistosoma japonicum Serine/threonine-protein kinase Chk1, putative Get druggable targets OG5_130454 All targets in OG5_130454
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis serine:threonine protein kinase Get druggable targets OG5_128024 All targets in OG5_128024
Loa Loa (eye worm) AGC/RSK/P70 protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_129482 All targets in OG5_129482
Trypanosoma cruzi Protein kinase B Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis serine:threonine protein kinase MARK2 Get druggable targets OG5_128024 All targets in OG5_128024
Echinococcus multilocularis serine:threonine protein kinase MARK2 Get druggable targets OG5_128024 All targets in OG5_128024
Trypanosoma brucei gambiense rac serine-threonine kinase, putative,protein kinase, putative 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
Schistosoma japonicum ko:K08798 MAP/microtubule affinity-regulating kinase, putative Get druggable targets OG5_128024 All targets in OG5_128024
Neospora caninum Ribosomal protein S6 kinase alpha-6 (EC 2.7.11.1), related 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) hypothetical protein Get druggable targets OG5_129482 All targets in OG5_129482
Candida albicans protein kinase Get druggable targets OG5_128695 All targets in OG5_128695
Trichomonas vaginalis AGC family protein kinase 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
Entamoeba histolytica PH domain containing protein kinase, putative 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
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_130454 All targets in OG5_130454
Candida albicans kinase involved in DNA repair Get druggable targets OG5_128695 All targets in OG5_128695
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_128024 All targets in OG5_128024
Echinococcus multilocularis Glutaredoxin protein 5 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 Protein kinase C gamma type, putative Get druggable targets OG5_129482 All targets in OG5_129482
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_128695 All targets in OG5_128695
Echinococcus multilocularis serine:threonine protein kinase Get druggable targets OG5_128024 All targets in OG5_128024
Plasmodium knowlesi RAC-beta serine/threonine protein kinase 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
Trypanosoma brucei rac serine-threonine kinase, putative 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
Echinococcus granulosus serine threonine protein kinase nrc Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis serine:threonine protein kinase Chk2 Get druggable targets OG5_128695 All targets in OG5_128695
Loa Loa (eye worm) AGC/AKT protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis calcium:calmodulin dependent protein kinase I Get druggable targets OG5_128695 All targets in OG5_128695
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129482 All targets in OG5_129482
Schistosoma japonicum IPR000477,RNA-directed DNA polymerase (Reverse transcriptase),domain-containing Get druggable targets OG5_129482 All targets in OG5_129482
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
Plasmodium vivax rac-beta serine/threonine protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_128024 All targets in OG5_128024
Candida albicans likely protein kinase similar to S. cerevisiae KIN1 (YDR122W) and KIN2 (YLR096W) Get druggable targets OG5_128024 All targets in OG5_128024
Plasmodium yoelii kinase Akt/PKB-related Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum Calcium-dependent protein kinase C, putative Get druggable targets OG5_129482 All targets in OG5_129482
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_130454 All targets in OG5_130454
Echinococcus granulosus protein kinase C gamma type Get druggable targets OG5_129482 All targets in OG5_129482
Echinococcus multilocularis RNA directed DNA polymerase Get druggable targets OG5_129482 All targets in OG5_129482
Candida albicans 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
Entamoeba histolytica PH domain containing protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase Get druggable targets OG5_129482 All targets in OG5_129482
Schistosoma japonicum ko:K06641 serine/threonine-protein kinase Chk2, putative Get druggable targets OG5_128695 All targets in OG5_128695
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128024 All targets in OG5_128024
Schistosoma japonicum ko:K07390 monothiol glutaredoxin, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis telomerase reverse transcriptase subunit Get druggable targets OG5_129482 All targets in OG5_129482
Echinococcus granulosus nervana 2 Get druggable targets OG5_126635 All targets in OG5_126635
Candida albicans protein kinase C similar to S. cerevisiae PKC1 (YBL105C) Get druggable targets OG5_129482 All targets in OG5_129482
Echinococcus multilocularis rac serine:threonine kinase Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis serine threonine protein kinase Get druggable targets OG5_129482 All targets in OG5_129482
Echinococcus granulosus serine:threonine protein kinase Chk2 Get druggable targets OG5_128695 All targets in OG5_128695
Brugia malayi p70 ribosomal S6 kinase beta Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis Protein kinase C, brain isozyme Get druggable targets OG5_129482 All targets in OG5_129482
Schistosoma japonicum RAC serine/threonine-protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus RNA directed DNA polymerase Get druggable targets OG5_129482 All targets in OG5_129482
Echinococcus granulosus serine:threonine protein kinase MARK2 Get druggable targets OG5_128024 All targets in OG5_128024
Echinococcus granulosus Protein kinase C brain isozyme Get druggable targets OG5_129482 All targets in OG5_129482
Toxoplasma gondii AGC kinase 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 Protein kinase C alpha type, putative Get druggable targets OG5_129482 All targets in OG5_129482
Plasmodium falciparum RAC-beta serine/threonine 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_128024 All targets in OG5_128024
Entamoeba histolytica 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 serine:threonine protein kinase Get druggable targets OG5_128024 All targets in OG5_128024
Brugia malayi Protein kinase c protein 2 Get druggable targets OG5_129482 All targets in OG5_129482
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase Get druggable targets OG5_130454 All targets in OG5_130454
Candida albicans kinase involved in DNA repair Get druggable targets OG5_128695 All targets in OG5_128695
Candida albicans protein kinase C similar to S. cerevisiae PKC1 (YBL105C) Get druggable targets OG5_129482 All targets in OG5_129482
Entamoeba histolytica protein kinase 2, putative Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_128024 All targets in OG5_128024
Schistosoma mansoni serine/threonine-protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum Protein kinase C alpha type, putative Get druggable targets OG5_129482 All targets in OG5_129482
Entamoeba histolytica protein kinase, 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
Echinococcus granulosus calcium:calmodulin dependent protein kinase I Get druggable targets OG5_128695 All targets in OG5_128695
Echinococcus granulosus serine/threonine protein 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
Candida albicans likely protein kinase similar to S. cerevisiae YPK2 (YMR104C) 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
Trypanosoma cruzi rac serine-threonine kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Candida albicans protein kinase Get druggable targets OG5_128695 All targets in OG5_128695
Echinococcus granulosus serine:threonine protein kinase Get druggable targets OG5_128024 All targets in OG5_128024
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 0.0072 0.0353 0.3241
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0118 0.0628 0.5
Echinococcus granulosus protein kinase c epsilon type 0.0081 0.0405 0.5892
Echinococcus multilocularis serine:threonine protein kinase N2 0.0072 0.0353 0.5132
Trichomonas vaginalis AGC family protein kinase 0.0192 0.1067 1
Echinococcus granulosus serine:threonine protein kinase 0.0051 0.0232 0.3382
Schistosoma mansoni serine/threonine protein kinase 0.0128 0.0687 0.6038
Entamoeba histolytica protein kinase, putative 0.0072 0.0353 0.1634
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0048 0.021 0.305
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0019 0.0039 0.034
Trichomonas vaginalis AGC family protein kinase 0.0192 0.1067 1
Onchocerca volvulus 0.0033 0.0122 1
Brugia malayi hypothetical protein 0.0019 0.0039 0.034
Echinococcus multilocularis serine:threonine protein kinase MARK2 0.0088 0.045 0.6548
Echinococcus granulosus nervana 2 0.0116 0.0612 0.8907
Echinococcus multilocularis calcium:calmodulin dependent protein kinase I 0.0048 0.0213 0.3101
Loa Loa (eye worm) hypothetical protein 0.0014 0.001 0.009
Schistosoma mansoni serine/threonine protein kinase 0.0128 0.0687 0.6038
Schistosoma mansoni serine/threonine-protein kinase 0.0123 0.0658 0.5778
Entamoeba histolytica protein kinase, putative 0.0192 0.1067 1
Onchocerca volvulus 0.0014 0.001 0.0842
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0072 0.0353 0.5132
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0072 0.0353 0.5132
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0033 0.0122 0.1068
Echinococcus granulosus Glutaredoxin protein 5 0.0116 0.0612 0.8907
Entamoeba histolytica endo-1,4-beta-xylanase, putative 0.0072 0.0355 0.1664
Onchocerca volvulus 0.0033 0.0122 1
Onchocerca volvulus 0.0033 0.0122 1
Entamoeba histolytica protein kinase, putative 0.0192 0.1067 1
Echinococcus multilocularis serine:threonine protein kinase 38 0.0072 0.0353 0.5132
Echinococcus multilocularis protein kinase c epsilon type 0.0081 0.0405 0.5892
Mycobacterium tuberculosis Secreted antigen 85-C FbpC (85C) (antigen 85 complex C) (AG58C) (mycolyl transferase 85C) (fibronectin-binding protein C) 0.1699 1 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.001 0.009
Brugia malayi Protein kinase domain containing protein 0.0072 0.0353 0.3099
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0116 0.0612 0.8907
Loa Loa (eye worm) hypothetical protein 0.0019 0.0039 0.034
Schistosoma mansoni serine/threonine protein kinase 0.0088 0.045 0.3954
Brugia malayi p70 ribosomal S6 kinase beta 0.0187 0.1038 0.9115
Loa Loa (eye worm) AGC/AKT protein kinase 0.0192 0.1067 0.9373
Schistosoma mansoni serine/threonine kinase 0.0072 0.0353 0.3099
Loa Loa (eye worm) hypothetical protein 0.0055 0.0253 0.2222
Brugia malayi hypothetical protein 0.0019 0.0039 0.034
Schistosoma mansoni serine/threonine protein kinase 0.0081 0.0405 0.3558
Echinococcus granulosus serine:threonine protein kinase MARK2 0.0088 0.045 0.6548
Trichomonas vaginalis AGC family protein kinase 0.0072 0.0353 0.3241
Schistosoma mansoni serine/threonine protein kinase 0.0039 0.0161 0.1416
Onchocerca volvulus 0.0033 0.0122 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0118 0.0628 0.9142
Echinococcus multilocularis serine threonine protein kinase 0.0121 0.0644 0.937
Echinococcus multilocularis S formylglutathione hydrolase 0.0072 0.0355 0.5169
Echinococcus granulosus serine:threonine protein kinase Chk2 0.0048 0.0213 0.3103
Brugia malayi LBP/BPI 0.0014 0.001 0.009
Brugia malayi Esterase D 0.0072 0.0355 0.3121
Echinococcus multilocularis protein kinase c iota type 0.0079 0.0396 0.5762
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0052 0.0235 0.2063
Loa Loa (eye worm) CAMK/CAMKL/MELK protein kinase 0.0039 0.0161 0.1416
Loa Loa (eye worm) esterase D 0.0072 0.0355 0.3121
Brugia malayi Protein kinase c protein 2 0.0059 0.0278 0.2443
Loa Loa (eye worm) hypothetical protein 0.0033 0.0122 0.1068
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0033 0.0122 0.1068
Onchocerca volvulus 0.0033 0.0122 1
Schistosoma mansoni serine/threonine kinase 0.0039 0.0161 0.1416
Onchocerca volvulus 0.0019 0.0039 0.3183
Loa Loa (eye worm) hypothetical protein 0.0019 0.0039 0.034
Schistosoma mansoni serine/threonine-protein kinase 0.0123 0.0658 0.5778
Brugia malayi Protein kinase domain containing protein 0.0072 0.0353 0.3099
Trichomonas vaginalis AGC family protein kinase 0.0192 0.1067 1
Echinococcus multilocularis Glutaredoxin protein 5 0.0116 0.0612 0.8907
Schistosoma mansoni serine/threonine protein kinase 0.0072 0.0353 0.3099
Trichomonas vaginalis AGC family protein kinase 0.0192 0.1067 1
Echinococcus multilocularis nervana 2 0.0116 0.0612 0.8907
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0204 0.1138 1
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0116 0.0612 0.8907
Loa Loa (eye worm) AGC/PKN protein kinase 0.0072 0.0353 0.3099
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0072 0.0353 0.5132
Trichomonas vaginalis AGC family protein kinase 0.0072 0.0353 0.3241
Schistosoma mansoni serine/threonine protein kinase 0.0072 0.0353 0.3099
Echinococcus multilocularis nervana 2 0.0116 0.0612 0.8907
Trichomonas vaginalis AGC family protein kinase 0.0077 0.0382 0.3519
Brugia malayi Hr1 repeat family protein 0.0072 0.0353 0.3099
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0072 0.0353 0.5132
Echinococcus granulosus serine:threonine protein kinase 0.0051 0.0232 0.3382
Echinococcus multilocularis serine:threonine protein kinase MARK2 0.0088 0.045 0.6548
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0072 0.0353 0.3099
Schistosoma mansoni hypothetical protein 0.0037 0.0145 0.1274
Schistosoma mansoni serine/threonine protein kinase 0.0204 0.1138 1
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0072 0.0353 0.3099
Loa Loa (eye worm) hypothetical protein 0.0019 0.0039 0.034
Giardia lamblia Kinase, AGC PKA 0.0118 0.0628 0.5
Trichomonas vaginalis AGC family protein kinase 0.0192 0.1067 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.001 0.009
Brugia malayi hypothetical protein 0.0014 0.001 0.009
Schistosoma mansoni serine/threonine protein kinase 0.0072 0.0353 0.3099
Schistosoma mansoni atypical protein kinase C 0.0079 0.0396 0.3479
Echinococcus multilocularis serine:threonine protein kinase N2 0.0072 0.0353 0.5132
Brugia malayi protein kinase C II. 0.0081 0.0405 0.3558
Echinococcus granulosus calcium activated potassium channel 0.0039 0.0161 0.2345
Trichomonas vaginalis CAMK family protein kinase 0.0039 0.0161 0.1428
Schistosoma mansoni serine/threonine protein kinase 0.0039 0.0161 0.1416
Onchocerca volvulus 0.0033 0.0122 1
Echinococcus multilocularis calcium activated potassium channel 0.0039 0.0161 0.2345
Entamoeba histolytica PH domain containing protein kinase, putative 0.0123 0.0658 0.5206
Echinococcus multilocularis serine:threonine protein kinase 0.0051 0.0232 0.3382
Toxoplasma gondii AGC kinase 0.0187 0.1038 0.5
Brugia malayi Protein kinase domain containing protein 0.0204 0.1138 1
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0118 0.0628 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0039 0.034
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0118 0.0628 0.9142
Schistosoma mansoni serine/threonine protein kinase 0.0039 0.0161 0.1416
Trypanosoma cruzi Protein kinase B 0.0123 0.0658 1
Trypanosoma brucei rac serine-threonine kinase, putative 0.0192 0.1067 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0072 0.0353 0.3099
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0019 0.0039 0.034
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0019 0.0039 0.034
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0123 0.0658 1
Echinococcus granulosus S formylglutathione hydrolase 0.0072 0.0355 0.5169
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0232 0.2103
Echinococcus granulosus NDR protein kinase 0.0072 0.0353 0.5132
Loa Loa (eye worm) hypothetical protein 0.0014 0.001 0.009
Trichomonas vaginalis AGC family protein kinase 0.0192 0.1067 1
Onchocerca volvulus 0.0019 0.0039 0.3183
Echinococcus granulosus serine:threonine protein kinase MARK2 0.0088 0.045 0.6548
Schistosoma mansoni serine/threonine protein kinase 0.0088 0.045 0.3954
Loa Loa (eye worm) hypothetical protein 0.0072 0.0353 0.3099
Trichomonas vaginalis AGC family protein kinase 0.0192 0.1067 1
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0072 0.0353 0.5132
Onchocerca volvulus 0.0033 0.0122 1
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0128 0.0687 1
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0019 0.0039 0.034
Echinococcus granulosus Protein kinase C brain isozyme 0.0128 0.0687 1
Echinococcus granulosus serine/threonine protein kinase 0.0123 0.0658 0.9569
Brugia malayi Protein kinase domain containing protein 0.0192 0.1067 0.9373
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0019 0.0039 0.034
Echinococcus multilocularis serine:threonine protein kinase 0.0051 0.0232 0.3382
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0072 0.0353 0.5132
Mycobacterium ulcerans secreted antigen 85-C FbpC 0.1699 1 1
Brugia malayi Protein kinase domain containing protein 0.0039 0.0161 0.1416
Echinococcus multilocularis RNA directed DNA polymerase 0.0048 0.021 0.305
Echinococcus granulosus serine threonine protein kinase nrc 0.0118 0.0628 0.9142
Entamoeba histolytica protein kinase, putative 0.0187 0.1038 0.9656
Loa Loa (eye worm) hypothetical protein 0.0037 0.0145 0.1274
Echinococcus multilocularis serine:threonine protein kinase Chk2 0.0048 0.0213 0.3103
Loa Loa (eye worm) hypothetical protein 0.0051 0.0232 0.2042
Echinococcus granulosus nervana 2 0.0116 0.0612 0.8907
Echinococcus granulosus calcium:calmodulin dependent protein kinase I 0.0048 0.0213 0.3101
Onchocerca volvulus 0.0033 0.0122 1
Schistosoma mansoni hypothetical protein 0.0037 0.0145 0.1274
Loa Loa (eye worm) hypothetical protein 0.0019 0.0039 0.034
Echinococcus multilocularis rac serine:threonine kinase 0.0123 0.0658 0.9569
Entamoeba histolytica protein kinase 2, putative 0.0118 0.0628 0.4862
Loa Loa (eye worm) hypothetical protein 0.0048 0.021 0.1842
Brugia malayi Protein kinase domain containing protein 0.0051 0.0232 0.2042
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0187 0.1038 0.9115
Echinococcus multilocularis hypothetical protein 0.0037 0.0145 0.2109
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0033 0.0122 0.1068
Brugia malayi Kinase associated domain 1 family protein 0.0037 0.0145 0.1274
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0081 0.0405 0.3558
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0072 0.0353 0.3099
Echinococcus granulosus protein kinase c iota type 0.0079 0.0396 0.5762
Loa Loa (eye worm) CAMK/CAMKL/MARK protein kinase 0.0051 0.0232 0.2042
Echinococcus granulosus RNA directed DNA polymerase 0.0048 0.021 0.305
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0033 0.0122 0.1068
Schistosoma mansoni serine/threonine protein kinase 0.0048 0.0213 0.1874
Echinococcus granulosus protein kinase C gamma type 0.0121 0.0644 0.937
Loa Loa (eye worm) AGC/NDR protein kinase 0.0072 0.0353 0.3099
Echinococcus granulosus serine:threonine protein kinase N2 0.0072 0.0353 0.5132
Entamoeba histolytica PH domain containing protein kinase, putative 0.0123 0.0658 0.5206
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0069 0.0337 0.3088

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 10 uM Inhibition of G2/M cell population in human H1299 cells by FACS assay ChEMBL. 17287122
EC50 (functional) > 10 uM Inhibition of G2/M cell population in human H1299 cells by FACS assay ChEMBL. 17287122
EC50 (functional) = 28.2 uM Antiproliferative activity against human SW620 cells by soft agar assay ChEMBL. 17287122
EC50 (functional) = 28.2 uM Antiproliferative activity against human SW620 cells by soft agar assay ChEMBL. 17287122
EC50 (functional) > 59 uM Inhibition of cell proliferation in human HeLa cells by MTS assay ChEMBL. 17287122
EC50 (functional) > 59 uM Inhibition of cell proliferation in human HeLa cells by MTS assay ChEMBL. 17287122
IC50 (binding) Inhibition of CK2 by radiometric assay ChEMBL. 17287122
IC50 (binding) Inhibition of Aur1 by radiometric assay ChEMBL. 17287122
IC50 (binding) Inhibition of MARKAP2 kinase by radiometric assay ChEMBL. 17287122
IC50 (binding) 0 Inhibition of Aur1 by radiometric assay ChEMBL. 17287122
IC50 (binding) 0 Inhibition of CK2 by radiometric assay ChEMBL. 17287122
IC50 (binding) 0 Inhibition of MARKAP2 kinase by radiometric assay ChEMBL. 17287122
IC50 (functional) = 13 nM Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation ChEMBL. 17287122
IC50 (functional) = 13 nM Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation ChEMBL. 17287122
IC50 (binding) = 1580 nM Inhibition of AKT by radiometric assay ChEMBL. 17287122
IC50 (binding) = 1580 nM Inhibition of AKT by radiometric assay ChEMBL. 17287122
IC50 (binding) = 4590 nM Inhibition of EMK by radiometric assay ChEMBL. 17287122
IC50 (binding) = 4590 nM Inhibition of EMK by radiometric assay ChEMBL. 17287122
IC50 (binding) = 4900 nM Inhibition of PKCgamma by radiometric assay ChEMBL. 17287122
IC50 (binding) = 4900 nM Inhibition of PKCgamma by radiometric assay ChEMBL. 17287122
IC50 (binding) = 10300 nM Inhibition of CHK2 by radiometric assay ChEMBL. 17287122
IC50 (binding) = 10300 nM Inhibition of CHK2 by radiometric assay ChEMBL. 17287122
IC50 (binding) = 15000 nM Inhibition of SGK by radiometric assay ChEMBL. 17287122
IC50 (binding) = 15000 nM Inhibition of SGK by radiometric assay ChEMBL. 17287122
IC50 (binding) > 50000 nM Inhibition of PKA by radiometric assay ChEMBL. 17287122
IC50 (binding) > 50000 nM Inhibition of PKCdelta by radiometric assay ChEMBL. 17287122
IC50 (binding) > 50000 nM Inhibition of ERK2 by radiometric assay ChEMBL. 17287122
IC50 (binding) > 50000 nM Inhibition of SRC by radiometric assay ChEMBL. 17287122
IC50 (binding) > 50000 nM Inhibition of CDC2 by radiometric assay ChEMBL. 17287122
IC50 (binding) > 50000 nM Inhibition of PKA by radiometric assay ChEMBL. 17287122
IC50 (binding) > 50000 nM Inhibition of PKCdelta by radiometric assay ChEMBL. 17287122
IC50 (binding) > 50000 nM Inhibition of ERK2 by radiometric assay ChEMBL. 17287122
IC50 (binding) > 50000 nM Inhibition of SRC by radiometric assay ChEMBL. 17287122
IC50 (binding) > 50000 nM Inhibition of CDC2 by radiometric assay ChEMBL. 17287122

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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