Detailed information for compound 404519

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1047.17 | Formula: C49H70N14O12
  • H donors: 12 H acceptors: 13 LogP: -1.32 Rotable bonds: 36
    Rule of 5 violations (Lipinski): 4
  • SMILES: CNCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(c1ccccc1)[N+](=O)[O-])C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(CC)C)C(=O)O)Cc1nc[nH]c1)Cc1ccc(cc1)O)C(C)C)CCCN=C(N)N
  • InChi: 1S/C49H70N14O12/c1-6-28(4)39(48(72)73)60-44(68)36-15-11-21-62(36)47(71)35(23-31-24-53-26-55-31)58-46(70)40(41(63(74)75)30-12-8-7-9-13-30)61-43(67)34(22-29-16-18-32(64)19-17-29)57-45(69)38(27(2)3)59-42(66)33(56-37(65)25-52-5)14-10-20-54-49(50)51/h7-9,12-13,16-19,24,26-28,33-36,38-41,52,64H,6,10-11,14-15,20-23,25H2,1-5H3,(H,53,55)(H,56,65)(H,57,69)(H,58,70)(H,59,66)(H,60,68)(H,61,67)(H,72,73)(H4,50,51,54)
  • InChiKey: PHTPOSKRUCPPGO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Loa Loa (eye worm) phosphatidylinositol kinase 0.042 0.0573 0.0573
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0609 0.0873 0.0864
Leishmania major phosphatidylinositol kinase related protein, putative 0.042 0.0573 0.0504
Trichomonas vaginalis PIKK family atypical protein kinase 0.1231 0.1861 0.1805
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0065 0.0009 0.0005
Loa Loa (eye worm) hypothetical protein 0.1359 0.2064 0.2064
Echinococcus multilocularis dual specificity 0.0105 0.0073 0.0069
Loa Loa (eye worm) phosphatidylinositol 3 0.042 0.0573 0.0573
Loa Loa (eye worm) hypothetical protein 0.0939 0.1397 0.1397
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.6356 1 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0166 0.0169 0.0102
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.042 0.0573 0.0564
Trichomonas vaginalis PIKK family atypical protein kinase 0.4264 0.6677 0.6655
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.042 0.0573 0.0569
Trichomonas vaginalis PIKK family atypical protein kinase 0.4738 0.743 0.7413
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.021 0.024 0.0174
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0939 0.1397 0.1393
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.042 0.0573 0.0509
Trichomonas vaginalis PIKK family atypical protein kinase 0.4738 0.743 0.7413
Trichomonas vaginalis PIKK family atypical protein kinase 0.4738 0.743 0.7413
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0141 0.013 0.013
Entamoeba histolytica hypothetical protein 0.042 0.0573 0.0566
Trichomonas vaginalis PIKK family atypical protein kinase 0.4738 0.743 0.7413
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.042 0.0573 0.0699
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.044 0.0604 0.0741
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.044 0.0604 0.0604
Onchocerca volvulus 0.042 0.0573 0.5
Loa Loa (eye worm) AGC/AKT protein kinase 0.0102 0.0068 0.0068
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0609 0.0873 0.081
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.042 0.0573 0.9479
Leishmania major peptidylprolyl isomerase-like protein 0.0166 0.0169 0.0097
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0064 0.0008 0.0008
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0609 0.0873 0.0866
Entamoeba histolytica hypothetical protein 0.042 0.0573 0.0566
Giardia lamblia Kinase, CMGC CLK 0.0141 0.013 0.0123
Loa Loa (eye worm) hypothetical protein 0.0143 0.0133 0.0133
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.6356 1 1
Trichomonas vaginalis conserved hypothetical protein 0.1359 0.2064 0.201
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0166 0.0169 0.5
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.1231 0.1861 0.1854
Trichomonas vaginalis conserved hypothetical protein 0.0939 0.1397 0.1338
Loa Loa (eye worm) FKBP5 protein 0.0166 0.0169 0.0169
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0548 0.0776 0.0713
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0143 0.0133 0.0129
Plasmodium vivax hypothetical protein, conserved 0.042 0.0573 0.9479
Trypanosoma cruzi Protein kinase B 0.007 0.0018 0.0018
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0166 0.0169 0.0162
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.042 0.0573 0.0564
Echinococcus granulosus hypothetical protein 0.0139 0.0127 0.0123
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0166 0.0169 0.0165
Loa Loa (eye worm) hypothetical protein 0.0103 0.0069 0.0069
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.054 0.0764 0.0755
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0171 0.0178 0.0169
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0508 0.0713 0.0706
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0166 0.0169 0.0169
Echinococcus granulosus serine:threonine protein kinase SMG1 0.122 0.1844 0.184
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0674 0.0977 0.0973
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.044 0.0604 0.0604
Toxoplasma gondii target of rapamycin (TOR), putative 0.4738 0.743 1
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.122 0.1844 0.184
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.122 0.1844 0.1844
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.217 0.3352 0.3307
Echinococcus multilocularis voltage gated potassium channel 0.0065 0.0009 0.0005
Leishmania major phosphatidylinositol kinase, putative 0.042 0.0573 0.0504
Loa Loa (eye worm) hypothetical protein 0.0196 0.0216 0.0216
Trichomonas vaginalis PIKK family atypical protein kinase 0.5064 0.7948 0.7934
Echinococcus multilocularis rac serine:threonine kinase 0.007 0.0018 0.0013
Trichomonas vaginalis PIKK family atypical protein kinase 0.3451 0.5387 0.5355
Loa Loa (eye worm) hypothetical protein 0.042 0.0573 0.0573
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0065 0.0009 0.0005
Echinococcus multilocularis 0.042 0.0573 0.0569
Trichomonas vaginalis PIKK family atypical protein kinase 0.3446 0.5379 0.5347
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0141 0.013 0.013
Trichomonas vaginalis fk506-binding protein, putative 0.0166 0.0169 0.0102
Brugia malayi Protein kinase domain containing protein 0.0141 0.013 0.0121
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.054 0.0764 0.076
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.2999 0.4668 0.4632
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.044 0.0604 0.0597
Trichomonas vaginalis PIKK family atypical protein kinase 0.5064 0.7948 0.7934
Schistosoma mansoni phosphatidylinositol 4-kinase 0.044 0.0604 0.0595
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.042 0.0573 0.0509
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0479 0.0667 0.066
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.6356 1 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.042 0.0573 0.0509
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.042 0.0573 0.9479
Schistosoma mansoni fkbp-rapamycin associated protein 0.122 0.1844 0.1836
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0479 0.0667 0.0658
Trichomonas vaginalis PIKK family atypical protein kinase 0.3451 0.5387 0.5355
Plasmodium vivax serine/threonine kinase-1, putative 0.0141 0.013 0.2054
Trichomonas vaginalis PIKK family atypical protein kinase 0.217 0.3352 0.3307
Entamoeba histolytica protein kinase rad3, putative 0.122 0.1844 0.1837
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0105 0.0073 0.0073
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.042 0.0573 0.9479
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.044 0.0604 0.054
Schistosoma mansoni hypothetical protein 0.042 0.0573 0.0564
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.2159 0.3335 0.329
Schistosoma mansoni serine/threonine protein kinase 0.0141 0.013 0.0121
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0166 0.0169 0.016
Plasmodium falciparum phosphatidylinositol 3-kinase 0.044 0.0604 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0225 0.0264 0.026
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.042 0.0573 0.0573
Trichomonas vaginalis PIKK family atypical protein kinase 0.4125 0.6457 0.6433
Trypanosoma cruzi hypothetical protein, conserved 0.009 0.0049 0.0049
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.6356 1 1
Echinococcus granulosus dual specificity protein kinase clk2 0.0141 0.013 0.0126
Leishmania major phosphatidylinositol 3-related kinase, putative 0.217 0.3352 0.3303
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0479 0.0667 0.0604
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0166 0.0169 0.2712
Trichomonas vaginalis PIKK family atypical protein kinase 0.6356 1 1
Schistosoma mansoni immunophilin 0.0143 0.0133 0.0124
Trichomonas vaginalis CMGC family protein kinase 0.0141 0.013 0.0063
Schistosoma mansoni immunophilin 0.0166 0.0169 0.016
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.042 0.0573 0.0569
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.6356 1 1
Schistosoma mansoni serine/threonine-protein kinase 0.007 0.0018 0.0008
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.054 0.0764 0.076
Entamoeba histolytica PH domain containing protein kinase, putative 0.007 0.0018 0.001
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0479 0.0667 0.0604
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0479 0.0667 0.0667
Trichomonas vaginalis PIKK family atypical protein kinase 0.6356 1 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0225 0.0264 0.0264
Trichomonas vaginalis PIKK family atypical protein kinase 0.3799 0.5939 0.5912
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2209 0.3414 0.3414
Trichomonas vaginalis PIKK family atypical protein kinase 0.2159 0.3335 0.329
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.042 0.0573 0.0573
Trichomonas vaginalis PIKK family atypical protein kinase 0.5064 0.7948 0.7934
Echinococcus multilocularis 0.0139 0.0127 0.0123
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.2209 0.3414 0.3412
Leishmania major phosphatidylinositol 3-kinase, putative 0.044 0.0604 0.0535
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0141 0.013 0.013
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0166 0.0169 0.0169
Leishmania major hypothetical protein, conserved 0.051 0.0716 0.0648
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2209 0.3414 0.3414
Echinococcus multilocularis serine protein kinase ATM 0.122 0.1844 0.184
Trichomonas vaginalis PIKK family atypical protein kinase 0.5064 0.7948 0.7934
Loa Loa (eye worm) phosphatidylinositol 3 0.042 0.0573 0.0573
Trichomonas vaginalis PIKK family atypical protein kinase 0.122 0.1844 0.1788
Mycobacterium leprae conserved hypothetical protein 0.042 0.0573 0.5
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.044 0.0604 0.0604
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0166 0.0169 0.0102
Entamoeba histolytica hypothetical protein 0.0569 0.081 0.0802
Leishmania major protein kinase, putative 0.0141 0.013 0.0058
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.042 0.0573 0.0564
Trypanosoma cruzi rac serine-threonine kinase, putative 0.007 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0139 0.0127 0.0127
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0225 0.0264 0.026
Schistosoma mansoni phosphatidylinositol 4-kinase 0.042 0.0573 0.0564
Trypanosoma brucei target of rapamycin kinase 3, putative 0.5069 0.7956 0.7942
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.044 0.0604 0.054
Plasmodium falciparum protein serine/threonine kinase-1 0.0141 0.013 0.2054
Loa Loa (eye worm) hypothetical protein 0.0065 0.0009 0.0009
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0189 0.0206 0.0198
Giardia lamblia GTOR 0.6356 1 1
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0105 0.0073 0.0073
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.6356 1 1
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.042 0.0573 0.9479
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0141 0.013 0.0063
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.042 0.0573 0.0573
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0479 0.0667 0.066
Loa Loa (eye worm) hypothetical protein 0.054 0.0764 0.0764
Giardia lamblia Phosphatidylinositol 4-kinase 0.042 0.0573 0.0566
Trichomonas vaginalis PIKK family atypical protein kinase 0.4738 0.743 0.7413
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0141 0.013 0.013
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0141 0.013 0.0098
Loa Loa (eye worm) hypothetical protein 0.122 0.1844 0.1844
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0166 0.0169 0.0169
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.5069 0.7956 0.7941
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.042 0.0573 0.0509
Trichomonas vaginalis PIKK family atypical protein kinase 0.3799 0.5939 0.5912
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.042 0.0573 0.0564
Trichomonas vaginalis PIKK family atypical protein kinase 0.3446 0.5379 0.5347
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.044 0.0604 0.0595
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.6356 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.042 0.0573 0.0573
Echinococcus granulosus voltage gated potassium channel 0.0065 0.0009 0.0005
Trichomonas vaginalis PIKK family atypical protein kinase 0.122 0.1844 0.1788
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.044 0.0604 0.054
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.2209 0.3414 0.3408
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0064 0.0008 0.0004
Onchocerca volvulus 0.042 0.0573 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.08 0.1177 0.1117
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.122 0.1844 0.1836
Trypanosoma cruzi target of rapamycin kinase 3 0.5069 0.7956 0.7956
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0064 0.0008 0.0004
Trichomonas vaginalis immunophilin, putative 0.0166 0.0169 0.0102
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0166 0.0169 0.0165
Leishmania major phosphatidylinositol 3-kinase, putative 0.2159 0.3335 0.3286
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.044 0.0604 0.06
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0141 0.013 0.0063
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.042 0.0573 0.0569
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.2651 0.4116 0.4076
Entamoeba histolytica protein kinase, putative 0.0105 0.0073 0.0065
Trichomonas vaginalis PIKK family atypical protein kinase 0.6356 1 1
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.044 0.0604 0.06
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0141 0.013 0.013
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0479 0.0667 0.0604
Trichomonas vaginalis PIKK family atypical protein kinase 0.2159 0.3335 0.329
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0166 0.0169 0.016
Brugia malayi Protein kinase domain containing protein 0.0102 0.0068 0.0058
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.6356 1 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.044 0.0604 0.0595
Trichomonas vaginalis conserved hypothetical protein 0.08 0.1177 0.1117
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0166 0.0169 0.0102
Trichomonas vaginalis PIKK family atypical protein kinase 0.042 0.0573 0.0509
Entamoeba histolytica PH domain containing protein kinase, putative 0.007 0.0018 0.001
Entamoeba histolytica protein kinase, putative 0.0096 0.0058 0.005
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0166 0.0169 0.5
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.042 0.0573 0.0569
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0609 0.0873 0.081
Schistosoma mansoni voltage-gated potassium channel 0.0246 0.0296 0.0287
Entamoeba histolytica protein kinase, putative 0.0102 0.0068 0.006
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.044 0.0604 1
Echinococcus granulosus dual specificity 0.0105 0.0073 0.0069
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.021 0.024 0.0174
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.122 0.1844 0.1836
Entamoeba histolytica hypothetical protein 0.042 0.0573 0.0566
Mycobacterium tuberculosis Conserved hypothetical protein 0.042 0.0573 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.042 0.0573 0.0509
Trichomonas vaginalis PIKK family atypical protein kinase 0.2159 0.3335 0.329
Schistosoma mansoni serine/threonine-protein kinase 0.007 0.0018 0.0008
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.078 0.1145 0.1136
Entamoeba histolytica protein kinase domain containing protein 0.0105 0.0073 0.0065
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.6356 1 1
Entamoeba histolytica protein kinase, putative 0.0105 0.0073 0.0065
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.042 0.0573 0.0699
Trichomonas vaginalis PIKK family atypical protein kinase 0.5417 0.8509 0.8499
Leishmania major fk506-binding protein 1-like protein 0.0166 0.0169 0.0097
Leishmania major phosphatidylinositol 4-kinase, putative 0.042 0.0573 0.0504
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.044 0.0604 0.054
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.044 0.0604 0.06
Loa Loa (eye worm) phosphatidylinositol 3 0.6356 1 1
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.044 0.0604 0.0597
Loa Loa (eye worm) phosphatidylinositol 3 0.217 0.3352 0.3352
Echinococcus multilocularis Zinc finger, PHD finger 0.044 0.0604 0.06
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0609 0.0873 0.081
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.042 0.0573 0.0573
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.042 0.0573 0.0573
Trichomonas vaginalis PIKK family atypical protein kinase 0.4738 0.743 0.7413
Trichomonas vaginalis PIKK family atypical protein kinase 0.3451 0.5387 0.5355
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.078 0.1145 0.1141
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.122 0.1844 0.1836
Loa Loa (eye worm) hypothetical protein 0.0069 0.0015 0.0015
Schistosoma mansoni hypothetical protein 0.0939 0.1397 0.1389
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.044 0.0604 0.0741
Trichomonas vaginalis PIKK family atypical protein kinase 0.5064 0.7948 0.7934
Plasmodium vivax hypothetical protein 0.042 0.0573 0.9479
Echinococcus multilocularis fk506 binding protein 0.0166 0.0169 0.0165
Entamoeba histolytica hypothetical protein 0.0105 0.0073 0.0065
Loa Loa (eye worm) hypothetical protein 0.0103 0.0069 0.0069
Trichomonas vaginalis PIKK family atypical protein kinase 0.1707 0.2617 0.2566
Trichomonas vaginalis PIKK family atypical protein kinase 0.3777 0.5905 0.5877
Schistosoma mansoni voltage-gated potassium channel 0.0246 0.0296 0.0287
Schistosoma mansoni serine/threonine protein kinase 0.0105 0.0073 0.0063
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0548 0.0776 0.0713
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0166 0.0169 0.0102
Loa Loa (eye worm) hypothetical protein 0.1287 0.1949 0.1949
Loa Loa (eye worm) phosphatidylinositol 3 0.074 0.1082 0.1082
Loa Loa (eye worm) hypothetical protein 0.08 0.1177 0.1177
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0105 0.0073 0.0005
Toxoplasma gondii FATC domain-containing protein 0.122 0.1844 0.2422
Brugia malayi Protein kinase domain containing protein 0.0105 0.0073 0.0063
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.046 0.0636 0.0629
Brugia malayi p70 ribosomal S6 kinase beta 0.0096 0.0058 0.0048
Echinococcus multilocularis dual specificity protein kinase clk2 0.0141 0.013 0.0126
Echinococcus granulosus serine threonine protein kinase nrc 0.0064 0.0008 0.0004
Toxoplasma gondii non-specific serine/threonine protein kinase 0.1359 0.2064 0.2721
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0166 0.0169 0.0162
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0166 0.0169 0.0169
Schistosoma mansoni serine/threonine protein kinase 0.0141 0.013 0.0121
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0501 0.0701 0.0694
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0225 0.0264 0.0254
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.042 0.0573 0.0564
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0143 0.0133 0.0129
Entamoeba histolytica hypothetical protein 0.122 0.1844 0.1837
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0166 0.0169 0.016
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.2209 0.3414 0.3408
Trichomonas vaginalis PIKK family atypical protein kinase 0.2159 0.3335 0.329
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.2209 0.3414 0.3412
Leishmania major hypothetical protein, unknown function 0.042 0.0573 0.0504
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.122 0.1844 0.1844
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.6356 1 1
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0166 0.0169 0.2712
Echinococcus granulosus serine protein kinase ATM 0.122 0.1844 0.184
Brugia malayi FAT domain containing protein 0.0939 0.1397 0.1389
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0096 0.0058 0.0058
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0105 0.0073 0.0073
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.042 0.0573 0.0569
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0479 0.0667 0.0604
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0609 0.0873 0.0873
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0166 0.0169 0.0162
Leishmania major protein kinase, putative 0.0141 0.013 0.0058
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0166 0.0169 0.0169
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.042 0.0573 0.0566
Loa Loa (eye worm) phosphatidylinositol 3 0.042 0.0573 0.0573
Echinococcus granulosus serine/threonine protein kinase 0.007 0.0018 0.0013
Giardia lamblia Hypothetical protein 0.042 0.0573 0.0566
Trichomonas vaginalis PIKK family atypical protein kinase 0.4738 0.743 0.7413
Schistosoma mansoni immunophilin 0.0166 0.0169 0.016
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.6356 1 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.122 0.1844 0.1788
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0674 0.0977 0.0973
Trichomonas vaginalis PIKK family atypical protein kinase 0.3451 0.5387 0.5355
Trichomonas vaginalis PIKK family atypical protein kinase 0.3446 0.5379 0.5347
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.042 0.0573 0.0699
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.078 0.1145 0.1141
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0569 0.081 0.0802
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0166 0.0169 0.0165
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0479 0.0667 0.0658
Plasmodium falciparum phosphatidylinositol 4-kinase 0.042 0.0573 0.9479
Trichomonas vaginalis PIKK family atypical protein kinase 0.3777 0.5905 0.5877
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0166 0.0169 0.0162
Entamoeba histolytica protein kinase, putative 0.0102 0.0068 0.006
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0609 0.0873 0.0873
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0939 0.1397 0.1393
Trichomonas vaginalis PIKK family atypical protein kinase 0.3799 0.5939 0.5912
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.08 0.1177 0.1177
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.044 0.0604 0.0535

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 0 % In vitro agonistic activity of the compound against angiotensin II in the rabbit aorta ChEMBL. 2913307
Activity (functional) = 8.7 % In vitro antagonist activity of the compound was measured in rabbit aorta assay as pA2/(% rel Ile5) ChEMBL. 2913307
BP (functional) = 7.5 mmHg In vivo angiotensin II like activity determined in rat blood pressure assay measured as increase in BP by 1 ug iv of compound ChEMBL. 2913307
ID50 (functional) = 100 ng min-1 rat-1 In vivo antagonistic activity of the compound was measured in the rat blood pressure assay ChEMBL. 2913307

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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