Detailed information for compound 1737344

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 622.062 | Formula: C32H30ClF2N5O4
  • H donors: 0 H acceptors: 2 LogP: 5.86 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc2c(c1OCCN(Cc1ccc(cc1F)F)CCn1ncnc1)c[n+]1c(c2)c2cc3OCOc3cc2CC1.[Cl-]
  • InChi: 1S/C32H30F2N5O4.ClH/c1-40-29-5-3-21-12-28-25-15-31-30(42-20-43-31)13-22(25)6-7-38(28)17-26(21)32(29)41-11-10-37(8-9-39-19-35-18-36-39)16-23-2-4-24(33)14-27(23)34;/h2-5,12-15,17-19H,6-11,16,20H2,1H3;1H/q+1;/p-1
  • InChiKey: JUVAKCPOVIEGNG-UHFFFAOYSA-M  


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
Schistosoma mansoni tyrosine kinase 0.0026 0.0091 0.0066
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0042 0.0332 0.0398
Echinococcus granulosus tyrosine protein kinase Fyn 0.0054 0.0526 0.063
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0064 0.0684 0.4264
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0431 0.0102
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0095 0.1157 0.1387
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0095 0.1157 0.1387
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0026 0.0091 0.0109
Echinococcus granulosus Immunoglobulin 0.0024 0.0065 0.0078
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0064 0.0684 0.4264
Trypanosoma brucei protein kinase, putative 0.0095 0.1157 0.632
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0064 0.0684 0.4264
Echinococcus multilocularis neuroglian 0.0026 0.0101 0.0121
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0064 0.0684 0.082
Brugia malayi intracellular kinase 0.0095 0.1157 0.1788
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0042 0.0336 0.0402
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0168 0.2266 0.35
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0334 0.4819 0.8338
Onchocerca volvulus 0.0144 0.1903 0.9899
Giardia lamblia Kinase, CMGC GSK 0.0095 0.1157 0.2727
Loa Loa (eye worm) TK/FER protein kinase 0.0022 0.0037 0.0049
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0026 0.0091 0.0066
Entamoeba histolytica hypothetical protein 0.0334 0.4819 0.8338
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0027 0.011 0.0132
Brugia malayi Protein kinase domain containing protein 0.0022 0.0037 0.0056
Schistosoma mansoni kinase 0.0049 0.045 0.0497
Trichomonas vaginalis conserved hypothetical protein 0.0672 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0022 0.0037 0.0049
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0044 0.0375 0.0519
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0051 0.0471 0.0565
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0054 0.0526 0.063
Echinococcus granulosus tyrosine protein kinase Lyn 0.0057 0.0569 0.0682
Echinococcus multilocularis enhancer of mRNA decapping protein 4 0.0039 0.0289 0.0346
Entamoeba histolytica protein kinase domain containing protein 0.0095 0.1157 0.1953
Loa Loa (eye worm) TK/FER protein kinase 0.0022 0.0037 0.0049
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1142 0.0837
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0301 0.4311 0.4115
Schistosoma mansoni serine/threonine protein kinase 0.0044 0.0375 0.0407
Echinococcus multilocularis tyrosine protein kinase HCK 0.0037 0.0265 0.0318
Onchocerca volvulus 0.0134 0.1752 0.9094
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0044 0.0375 0.0507
Echinococcus multilocularis cyclin dependent kinase 0.0044 0.0375 0.0449
Giardia lamblia Kinase, CMGC CDK 0.0044 0.0375 0.0142
Loa Loa (eye worm) hypothetical protein 0.0042 0.0332 0.045
Echinococcus granulosus tyrosine protein kinase HCK 0.0037 0.0265 0.0318
Schistosoma mansoni serine/threonine protein kinase 0.0144 0.1903 0.2248
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0054 0.0526 0.063
Brugia malayi SH2 domain containing protein 0.0022 0.0037 0.0056
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0396 0.5773 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0396 0.5773 0.5628
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0564 0.8343 1
Brugia malayi Tyrosine-protein kinase abl-1 0.0026 0.0091 0.0141
Schistosoma mansoni tyrosine kinase 0.0054 0.0526 0.0589
Entamoeba histolytica PH domain containing protein kinase, putative 0.0042 0.0332 0.0515
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1142 0.0837
Trichomonas vaginalis CMGC family protein kinase 0.0095 0.1157 0.0853
Echinococcus multilocularis cyclin dependent kinase 1 0.0044 0.0375 0.0449
Echinococcus granulosus tyrosine protein kinase Srms 0.0022 0.0037 0.0044
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.1142 0.1488
Echinococcus granulosus cyclin dependent kinase 1 0.0044 0.0375 0.0449
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0094 0.1142 0.1369
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0127 0.1638 0.135
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0051 0.0471 0.0565
Leishmania major phosphatidylinositol 3-kinase, putative 0.0064 0.0684 0.4264
Brugia malayi cell division control protein 2 homolog 0.0044 0.0375 0.0579
Brugia malayi cAMP-dependent protein kinase catalytic subunit, putative 0.0042 0.0332 0.0513
Loa Loa (eye worm) TK/FER protein kinase 0.0022 0.0037 0.0049
Echinococcus multilocularis roundabout 2 0.0029 0.0146 0.0175
Loa Loa (eye worm) TK/ABL protein kinase 0.0022 0.0037 0.0049
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0064 0.0684 0.4264
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1142 0.0837
Schistosoma mansoni serine/threonine protein kinase 0.0094 0.1142 0.1331
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0396 0.5773 1
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0239 0.3357 1
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0064 0.0684 0.082
Schistosoma mansoni serine/threonine protein kinase 0.0226 0.3166 0.3768
Echinococcus granulosus tyrosine protein kinase ABL1 0.0022 0.0037 0.0044
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0127 0.1638 0.1927
Brugia malayi Protein kinase domain containing protein 0.0442 0.6473 1
Trypanosoma cruzi cdc2-related kinase 1 0.0044 0.0375 0.0079
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0042 0.0332 0.0398
Trypanosoma cruzi cdc2-related kinase 1 0.0044 0.0375 0.0079
Echinococcus multilocularis Zinc finger, PHD finger 0.0064 0.0684 0.082
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0127 0.1638 0.2791
Schistosoma mansoni serine/threonine protein kinase 0.0042 0.0332 0.0356
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0044 0.0375 0.0519
Trypanosoma cruzi cdc2-related kinase 3 0.0044 0.0375 0.0079
Brugia malayi hypothetical protein 0.0024 0.0065 0.0101
Echinococcus multilocularis Immunoglobulin 0.0024 0.0065 0.0078
Loa Loa (eye worm) TK protein kinase 0.0051 0.0471 0.0637
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0054 0.0526 0.063
Loa Loa (eye worm) phosphatidylinositol 3 0.0502 0.7389 1
Loa Loa (eye worm) TK/FER protein kinase 0.0022 0.0037 0.0049
Trichomonas vaginalis CMGC family protein kinase 0.0044 0.0375 0.0044
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0064 0.0684 0.0646
Loa Loa (eye worm) SRC-1 0.0054 0.0526 0.0711
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0044 0.0375 0.0519
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0064 0.0684 0.4264
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0222 0.31 0.3715
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0064 0.0684 0.0364
Brugia malayi Protein kinase domain containing protein 0.0022 0.0037 0.0056
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0064 0.0684 0.0926
Loa Loa (eye worm) TK/KIN16 protein kinase 0.017 0.2302 0.3115
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0044 0.0375 0.0507
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0054 0.0526 0.063
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.0442 0.6473 0.876
Echinococcus multilocularis cyclin dependent kinase 1 0.0044 0.0375 0.0449
Trichomonas vaginalis CMGC family protein kinase 0.0044 0.0375 0.0044
Brugia malayi SRC-1 0.0054 0.0526 0.0812
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1142 0.0837
Loa Loa (eye worm) TK/FER protein kinase 0.0022 0.0037 0.0049
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1142 0.0837
Schistosoma mansoni nephrin 0.0026 0.0101 0.0077
Schistosoma mansoni serine/threonine protein kinase 0.0042 0.0332 0.0356
Echinococcus granulosus rho-associated protein kinase 1 0.0144 0.1903 0.2282
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0042 0.0332 0.0398
Echinococcus multilocularis tyrosine protein kinase Srms 0.0051 0.0471 0.0565
Plasmodium vivax glycogen synthase kinase 3, putative 0.0095 0.1157 1
Loa Loa (eye worm) TK protein kinase 0.0037 0.0265 0.0359
Loa Loa (eye worm) hypothetical protein 0.0029 0.0146 0.0197
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0054 0.0526 0.063
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0095 0.1157 0.1566
Giardia lamblia Kinase, CMGC CDK 0.0044 0.0375 0.0142
Brugia malayi Protein kinase domain containing protein 0.0044 0.0375 0.0579
Plasmodium falciparum protein kinase 5 0.0044 0.0375 0.0519
Brugia malayi hypothetical protein 0.0022 0.0037 0.0056
Entamoeba histolytica cell division protein kinase 2, putative 0.0044 0.0375 0.059
Echinococcus multilocularis protein kinase shaggy 0.0095 0.1157 0.1387
Brugia malayi Fibronectin type III domain containing protein 0.0024 0.0065 0.0101
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0064 0.0684 0.0364
Loa Loa (eye worm) hypothetical protein 0.0029 0.0146 0.0197
Schistosoma mansoni tyrosine kinase 0.0054 0.0526 0.0589
Plasmodium falciparum glycogen synthase kinase 3 0.0095 0.1157 1
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0044 0.0375 0.0449
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0024 0.0065 0.0034
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0127 0.1638 0.135
Echinococcus multilocularis tyrosine protein kinase shark 0.0229 0.32 0.3835
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0042 0.0332 0.0398
Entamoeba histolytica cell division protein kinase 2, putative 0.0044 0.0375 0.059
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0064 0.0684 0.1057
Onchocerca volvulus 0.0141 0.186 0.9668
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0064 0.0684 0.1129
Loa Loa (eye worm) hypothetical protein 0.0024 0.0065 0.0088
Schistosoma mansoni cell adhesion molecule 0.0027 0.011 0.0089
Loa Loa (eye worm) TK/FER protein kinase 0.0022 0.0037 0.0049
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0226 0.3166 0.3795
Giardia lamblia Kinase, PLK 0.0094 0.1142 0.2676
Trypanosoma cruzi cdc2-related kinase 3 0.0044 0.0375 0.0079
Brugia malayi Stress-activated protein kinase jnk-1 0.0226 0.3166 0.4891
Schistosoma mansoni tyrosine kinase 0.0026 0.0091 0.0066
Schistosoma mansoni serine/threonine protein kinase 0.0044 0.0375 0.0407
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1142 0.0837
Echinococcus multilocularis rho associated protein kinase 0.0144 0.1903 0.2282
Brugia malayi Protein kinase domain containing protein 0.0022 0.0037 0.0056
Echinococcus multilocularis cyclin dependent kinase 5 0.0044 0.0375 0.0449
Echinococcus granulosus roundabout 2 0.0029 0.0146 0.0175
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0396 0.5773 0.8918
Echinococcus granulosus tyrosine kinase 0.0051 0.0471 0.0565
Echinococcus granulosus protein kinase shaggy 0.0095 0.1157 0.1387
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0382 0.5548 0.9608
Brugia malayi Immunoglobulin I-set domain containing protein 0.017 0.2302 0.3556
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0054 0.0526 0.063
Entamoeba histolytica protein kinase, putative 0.0037 0.0265 0.0399
Schistosoma mansoni tyrosine kinase 0.0215 0.2994 0.3561
Entamoeba histolytica protein kinase domain containing protein 0.0095 0.1157 0.1953
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0127 0.1638 0.2399
Brugia malayi Protein kinase domain containing protein 0.0022 0.0037 0.0056
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0054 0.0526 0.063
Schistosoma mansoni vesicular amine transporter 0.0024 0.0065 0.0034
Echinococcus granulosus neuroglian 0.0026 0.0101 0.0121
Trichomonas vaginalis conserved hypothetical protein 0.0672 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0127 0.1638 0.2791
Loa Loa (eye worm) phosphatidylinositol 3 0.0112 0.1413 0.1912
Trichomonas vaginalis CMGC family protein kinase 0.0095 0.1157 0.0853
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0064 0.0684 0.0779
Echinococcus granulosus tyrosine kinase 0.0022 0.0037 0.0044
Entamoeba histolytica PH domain containing protein kinase, putative 0.0042 0.0332 0.0515
Loa Loa (eye worm) AGC/PKA protein kinase 0.0042 0.0332 0.045
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0026 0.0091 0.0109
Loa Loa (eye worm) hypothetical protein 0.0024 0.0065 0.0088
Echinococcus granulosus twitchin 0.0029 0.0144 0.0173
Echinococcus granulosus cyclin dependent kinase 5 0.0044 0.0375 0.0449
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0064 0.0684 0.082
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0064 0.0684 0.0779
Echinococcus multilocularis tyrosine kinase 0.0022 0.0037 0.0044
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0022 0.0037 0.0044
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0095 0.1157 1
Brugia malayi Protein kinase domain containing protein 0.0022 0.0037 0.0056
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0431 0.0102
Entamoeba histolytica serine/threonine protein kinase, putative 0.0094 0.1142 0.1927
Echinococcus granulosus defective proboscis extension response 0.0024 0.0065 0.0078
Trichomonas vaginalis CMGC family protein kinase 0.0044 0.0375 0.0044
Schistosoma mansoni tyrosine kinase 0.0229 0.32 0.3808
Brugia malayi SH2 domain containing protein 0.0022 0.0037 0.0056
Echinococcus multilocularis tyrosine protein kinase Abl 0.0026 0.0091 0.0109
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.1142 0.1488
Onchocerca volvulus Tyrosine kinase homolog 0.0145 0.1923 1
Loa Loa (eye worm) hypothetical protein 0.0222 0.31 0.4195
Trichomonas vaginalis conserved hypothetical protein 0.0672 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.016 0.2146 0.3678
Trichomonas vaginalis conserved hypothetical protein 0.0672 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0222 0.31 0.4789
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0301 0.4311 0.4115
Echinococcus granulosus c-Jun N-terminal kinases 0.0226 0.3166 0.3795
Plasmodium vivax protein kinase Crk2 0.0044 0.0375 0.0519
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0022 0.0037 0.0044
Echinococcus granulosus tyrosine protein kinase Src42A 0.0042 0.0336 0.0402
Trichomonas vaginalis conserved hypothetical protein 0.0672 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0112 0.1413 0.1986
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0022 0.0037 0.0044
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0564 0.8343 1
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0024 0.0065 0.0034
Trichomonas vaginalis hypothetical protein 0.0672 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0396 0.5773 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0044 0.0375 0.0507
Loa Loa (eye worm) hypothetical protein 0.0024 0.0065 0.0088
Brugia malayi serine/threonine-protein kinase plk-2 0.0094 0.1142 0.1764
Loa Loa (eye worm) hypothetical protein 0.0024 0.0065 0.0088
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0564 0.8343 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0054 0.0526 0.063
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0064 0.0684 0.2695
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0042 0.0332 0.0398
Loa Loa (eye worm) hypothetical protein 0.0024 0.0065 0.0088
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0094 0.1142 0.1545
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0094 0.1142 0.9814
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0095 0.1157 0.1516
Loa Loa (eye worm) hypothetical protein 0.0024 0.0065 0.0088
Loa Loa (eye worm) TK/FER protein kinase 0.0022 0.0037 0.0049
Trypanosoma brucei cdc2-related kinase 3 0.0044 0.0375 0.0328
Loa Loa (eye worm) AGC/PKA protein kinase 0.0042 0.0332 0.045
Echinococcus granulosus tyrosine protein kinase Fyn 0.0054 0.0526 0.063
Echinococcus multilocularis tyrosine protein kinase Blk 0.0051 0.0471 0.0565
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0095 0.1157 0.1566
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0064 0.0684 0.0646
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0064 0.0684 0.1129
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0042 0.0332 0.0398
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0095 0.1157 1
Echinococcus granulosus tyrosine protein kinase shark 0.0229 0.32 0.3835
Trypanosoma brucei polo-like protein kinase 0.0094 0.1142 0.6202
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0127 0.1638 1
Echinococcus granulosus enhancer of mRNA decapping protein 4 0.0039 0.0289 0.0346
Echinococcus granulosus tyrosine protein kinase Src64B 0.0054 0.0526 0.063
Brugia malayi protein-tyrosine kinase 0.0051 0.0471 0.0728
Onchocerca volvulus 0.0095 0.1157 0.5941
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1142 0.0837
Echinococcus granulosus c src tyrosine kinase 0.0026 0.0091 0.0109
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0127 0.1638 0.135
Trypanosoma brucei cdc2-related kinase 1 0.0044 0.0375 0.0328
Loa Loa (eye worm) hypothetical protein 0.0027 0.011 0.0149
Echinococcus multilocularis c src tyrosine kinase 0.0026 0.0091 0.0109
Loa Loa (eye worm) hypothetical protein 0.0041 0.0331 0.0449
Trichomonas vaginalis conserved hypothetical protein 0.0672 1 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0396 0.5773 0.5628
Schistosoma mansoni serine/threonine protein kinase 0.0042 0.0332 0.0356
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0024 0.0065 0.0078
Entamoeba histolytica protein kinase, putative 0.0095 0.1157 0.1953
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0127 0.1638 0.253
Echinococcus granulosus tyrosine protein kinase Src42A 0.0054 0.0526 0.063
Loa Loa (eye worm) hypothetical protein 0.0022 0.0037 0.0049
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0064 0.0684 0.0364
Echinococcus multilocularis Immunoglobulin 0.0024 0.0065 0.0078
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0226 0.3166 0.4285
Loa Loa (eye worm) hypothetical protein 0.0174 0.2369 0.3205
Loa Loa (eye worm) TK/FER protein kinase 0.0022 0.0037 0.0049
Onchocerca volvulus Serine\/threonine kinase homolog 0.0094 0.1142 0.586
Echinococcus granulosus tyrosine protein kinase Blk 0.0051 0.0471 0.0565
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0095 0.1157 0.1349
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0077 0.0874 0.1791
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0222 0.31 0.3715
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0094 0.1142 0.1369
Echinococcus granulosus cyclin dependent kinase 0.0044 0.0375 0.0449
Echinococcus granulosus tyrosine protein kinase Fyn 0.0054 0.0526 0.063
Brugia malayi Immunoglobulin I-set domain containing protein 0.0024 0.0065 0.0101
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0054 0.0526 0.063
Giardia lamblia Kinase, CMGC GSK 0.0095 0.1157 0.2727
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0054 0.0526 0.063
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0042 0.0332 0.0398
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0054 0.0526 0.063
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0396 0.5773 0.5628
Loa Loa (eye worm) TK/FER protein kinase 0.0022 0.0037 0.0049

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) Binding affinity to human serum albumin at 0.2 to 1.8 10'-5 mol/L at pH 7.4 at 294 K by UV-vis spectroscopic analysis ChEMBL. No reference
Ka (ADMET) = 3.51 10'-4L/mol Binding affinity to human serum albumin at pH 7.4 at 310 K by modified Stern-Volmer plot analysis ChEMBL. No reference
Ka (ADMET) = 3.74 10'-4L/mol Binding affinity to human serum albumin at pH 7.4 at 302 K by modified Stern-Volmer plot analysis ChEMBL. No reference
Ka (ADMET) = 4.03 10'-4L/mol Binding affinity to human serum albumin at pH 7.4 at 294 K by modified Stern-Volmer plot analysis ChEMBL. No reference
Kb (ADMET) = 3.57 10'-4L/mol Binding affinity to human serum albumin at pH 7.4 at 310 K by Scatchard plot analysis ChEMBL. No reference
Kb (ADMET) = 3.79 10'-4L/mol Binding affinity to human serum albumin at pH 7.4 at 302 K by Scatchard plot analysis ChEMBL. No reference
Kb (ADMET) = 4.15 10'-4L/mol Binding affinity to human serum albumin at pH 7.4 at 294 K by Scatchard plot analysis ChEMBL. No reference
Kb (ADMET) = 0.905 L/mol Binding affinity to HSA in presence of Ni2+ ions ChEMBL. 23312473
Kb (ADMET) = 0.94 L/mol Binding affinity to HSA in presence of Zn2+ ions ChEMBL. 23312473
Kb (ADMET) = 0.953 L/mol Binding affinity to HSA in presence of La3+ ions ChEMBL. 23312473
Kb (ADMET) = 1.017 L/mol Binding affinity to HSA in presence of K+ ions ChEMBL. 23312473
Kb (ADMET) = 1.032 L/mol Binding affinity to HSA in presence of Ca2+ ions ChEMBL. 23312473
Kb (ADMET) = 1.039 L/mol Binding affinity to HSA in presence of Pb2+ ions ChEMBL. 23312473
Kb (ADMET) = 1.049 L/mol Binding affinity to HSA in presence of Cu2+ ions ChEMBL. 23312473
Kb (ADMET) = 1.077 L/mol Binding affinity to HSA in presence of Ce3+ ions ChEMBL. 23312473
Kb (ADMET) = 1.079 L/mol Binding affinity to HSA in absence of metal ions ChEMBL. 23312473
Kb (ADMET) = 1.148 L/mol Binding affinity to HSA in presence of Mg2+ ions ChEMBL. 23312473
Kb (ADMET) = 1.204 L/mol Binding affinity to HSA in presence of Fe3+ ions ChEMBL. 23312473
KSV (ADMET) = 6.51 10'-4L/mol Binding affinity to human serum albumin at pH 7.4 at 310 K by Stern-Volmer plot analysis ChEMBL. No reference
KSV (ADMET) = 7.12 10'-4L/mol Binding affinity to human serum albumin at pH 7.4 at 302 K by Stern-Volmer plot analysis ChEMBL. No reference
KSV (ADMET) = 8.73 10'-4L/mol Binding affinity to human serum albumin at pH 7.4 at 294 K by Stern-Volmer plot analysis ChEMBL. No reference
MIC (functional) = 4 ug ml-1 Antimicrobial activity against Escherichia coli DH52 after 24 hrs by microbroth dilution method ChEMBL. No reference
MIC (functional) = 4 ug ml-1 Antibacterial activity against Escherichia coli DH52 by two fold serial dilution method ChEMBL. 23312473
MIC80 (functional) = 2 ug ml-1 Antimicrobial activity against Candida mycoderma after 24 hrs by microbroth dilution method ChEMBL. No reference
MIC80 (functional) = 4 ug ml-1 Antimicrobial activity against Candida albicans ATCC 90029 after 24 hrs by microbroth dilution method ChEMBL. No reference
MIC80 (functional) = 32 ug ml-1 Antimicrobial activity against Saccharomyces cerevisiae ATCC 9763 after 24 hrs by microbroth dilution method ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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