Detailed information for compound 117007

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 446.498 | Formula: C25H26N4O4
  • H donors: 2 H acceptors: 3 LogP: 4.44 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONc1ccnc2c1ncn2C1CC(C(O1)COc1ccc(cc1)C)Oc1ccc(cc1)C
  • InChi: 1S/C25H26N4O4/c1-16-3-7-18(8-4-16)31-14-22-21(32-19-9-5-17(2)6-10-19)13-23(33-22)29-15-27-24-20(28-30)11-12-26-25(24)29/h3-12,15,21-23,30H,13-14H2,1-2H3,(H,26,28)
  • InChiKey: LLXQLOZUJIZVBJ-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
Brugia malayi serine/threonine-protein kinase plk-2 0.0324 0.0431 0.177
Trichomonas vaginalis AGC family protein kinase 0.0143 0.0127 0.0315
Trichomonas vaginalis CAMK family protein kinase 0.0324 0.0431 0.1758
Loa Loa (eye worm) hypothetical protein 0.007 0.0003 0.0012
Loa Loa (eye worm) TK/FER protein kinase 0.0085 0.003 0.0106
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0153 0.0143 0.1452
Toxoplasma gondii AGC kinase 0.0143 0.0127 0.1169
Mycobacterium ulcerans anthranilate phosphoribosyltransferase 0.1694 0.274 0.2696
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0221 0.0257 0.3461
Echinococcus granulosus tyrosine protein kinase Src42A 0.0149 0.0136 0.0136
Schistosoma mansoni serine/threonine protein kinase 0.0143 0.0127 0.0313
Echinococcus multilocularis cyclin dependent kinase 5 0.0153 0.0143 0.0143
Echinococcus granulosus cyclin dependent kinase 0.0153 0.0143 0.0143
Brugia malayi Protein kinase domain containing protein 0.0085 0.003 0.0121
Trypanosoma cruzi polo-like protein kinase, putative 0.0324 0.0431 0.1489
Schistosoma mansoni tyrosine kinase 0.0195 0.0214 0.0592
Trypanosoma brucei polo-like protein kinase 0.0324 0.0431 0.6058
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0221 0.0257 0.3461
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0383 0.0531 0.1979
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0324 0.0431 0.6519
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.1356 0.2171 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0143 0.0127 0.0454
Toxoplasma gondii AGC kinase 0.0143 0.0127 0.1169
Loa Loa (eye worm) TK/FER protein kinase 0.0085 0.003 0.0106
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0101 0.0056 0.0085
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0085 0.003 0.003
Trichomonas vaginalis conserved hypothetical protein 0.1129 0.1789 0.819
Trichomonas vaginalis CMGC family protein kinase 0.0441 0.0629 0.2696
Trichomonas vaginalis CAMK family protein kinase 0.0324 0.0431 0.1758
Entamoeba histolytica hypothetical protein 0.1143 0.1813 0.8325
Plasmodium vivax cAMP-dependent protein kinase catalytic subunit, putative 0.0143 0.0127 0.1169
Loa Loa (eye worm) hypothetical protein 0.0119 0.0086 0.031
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0195 0.0214 0.0214
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0221 0.0257 0.0732
Echinococcus granulosus defective proboscis extension response 0.0101 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.007 0.0003 0.0012
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.1356 0.2171 1
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0143 0.0127 0.0127
Onchocerca volvulus 0.0441 0.0629 0.8578
Toxoplasma gondii protein kinase, cAMP-dependent, catalytic chain 0.0143 0.0127 0.1169
Echinococcus multilocularis enhancer of mRNA decapping protein 4 0.0132 0.0109 0.0109
Echinococcus multilocularis roundabout 2 0.0119 0.0086 0.0086
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0149 0.0136 0.0136
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0098 0.005 0.005
Entamoeba histolytica protein kinase domain containing protein 0.0441 0.0629 0.2801
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1143 0.1813 0.8325
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0153 0.0143 0.0514
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0143 0.0127 0.0127
Loa Loa (eye worm) hypothetical protein 0.0142 0.0125 0.0449
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0441 0.0629 0.0629
Trichomonas vaginalis CAMK family protein kinase 0.0165 0.0164 0.0491
Trypanosoma cruzi cdc2-related kinase 1 0.0153 0.0143 0.0079
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0153 0.0143 0.1452
Onchocerca volvulus 0.0483 0.07 0.9582
Echinococcus multilocularis tyrosine protein kinase Blk 0.0182 0.0193 0.0193
Echinococcus granulosus enhancer of mRNA decapping protein 4 0.0132 0.0109 0.0109
Echinococcus granulosus tyrosine protein kinase shark 0.0791 0.1219 0.1219
Schistosoma mansoni tyrosine kinase 0.0098 0.005 0.0066
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.193 0.3138 0.3138
Leishmania major protein kinase A catalytic subunit isoform 2 0.0143 0.0127 0.1169
Onchocerca volvulus 0.0494 0.0718 0.9843
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.1356 0.2171 1
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0433 0.0616 0.2392
Echinococcus multilocularis c src tyrosine kinase 0.0098 0.005 0.005
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0195 0.0214 0.0214
Giardia lamblia Kinase, CMGC GSK 0.0441 0.0629 0.4425
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.1694 0.274 1
Loa Loa (eye worm) hypothetical protein 0.0119 0.0086 0.031
Echinococcus multilocularis tyrosine protein kinase Abl 0.0098 0.005 0.005
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.1356 0.2171 1
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0221 0.0257 0.3461
Schistosoma mansoni serine/threonine protein kinase 0.0153 0.0143 0.0365
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0776 0.1193 0.4291
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0441 0.0629 0.193
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0221 0.0257 0.0638
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0221 0.0257 0.3461
Trichomonas vaginalis hypothetical protein 0.1129 0.1789 0.819
Loa Loa (eye worm) phosphatidylinositol 3 0.1717 0.2779 1
Brugia malayi Protein kinase domain containing protein 0.0085 0.003 0.0121
Echinococcus granulosus tyrosine protein kinase HCK 0.0131 0.0106 0.0106
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1356 0.2171 0.8912
Echinococcus multilocularis cyclin dependent kinase 1 0.0153 0.0143 0.0143
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0324 0.0431 0.1552
Schistosoma mansoni serine/threonine protein kinase 0.0143 0.0127 0.0313
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0574 0.0852 0.3498
Onchocerca volvulus 0.0459 0.0659 0.9
Brugia malayi Protein kinase domain containing protein 0.0085 0.003 0.0121
Loa Loa (eye worm) AGC/PKA protein kinase 0.0143 0.0127 0.0456
Brugia malayi Protein kinase domain containing protein 0.0153 0.0143 0.0587
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0441 0.0629 0.0629
Brugia malayi protein-tyrosine kinase 0.0182 0.0193 0.0792
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0101 0.0056 0.0056
Trichomonas vaginalis conserved hypothetical protein 0.1129 0.1789 0.819
Trichomonas vaginalis CAMK family protein kinase 0.0324 0.0431 0.1758
Brugia malayi Protein kinase domain containing protein 0.0085 0.003 0.0121
Trypanosoma brucei cdc2-related kinase 1 0.0153 0.0143 0.032
Trichomonas vaginalis conserved hypothetical protein 0.1129 0.1789 0.819
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.076 0.1166 0.1166
Echinococcus granulosus adenosine deaminase 0.0104 0.006 0.006
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0433 0.0616 0.1886
Trichomonas vaginalis conserved hypothetical protein 0.1129 0.1789 0.819
Onchocerca volvulus Adenosine deaminase homolog 0.0104 0.006 0.0439
Loa Loa (eye worm) hypothetical protein 0.0101 0.0056 0.0201
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0221 0.0257 0.1063
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0441 0.0629 0.2458
Giardia lamblia Kinase, CMGC CDK 0.0153 0.0143 0.0142
Loa Loa (eye worm) hypothetical protein 0.0597 0.0891 0.3205
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0221 0.0257 0.0257
Loa Loa (eye worm) AGC/PKA protein kinase 0.0143 0.0127 0.0456
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.076 0.1166 0.4785
Echinococcus granulosus tyrosine protein kinase Fyn 0.0195 0.0214 0.0214
Echinococcus granulosus protein kinase shaggy 0.0441 0.0629 0.0629
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.193 0.3138 0.3138
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0153 0.0143 0.1452
Echinococcus granulosus tyrosine protein kinase Lyn 0.0205 0.0232 0.0232
Giardia lamblia Kinase, CMGC CDK 0.0153 0.0143 0.0142
Echinococcus multilocularis tyrosine protein kinase HCK 0.0131 0.0106 0.0106
Brugia malayi Immunoglobulin I-set domain containing protein 0.0101 0.0056 0.0229
Schistosoma mansoni serine/threonine protein kinase 0.0153 0.0143 0.0365
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.1513 0.2437 0.8766
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0221 0.0257 0.1056
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0324 0.0431 0.0431
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0433 0.0616 0.2632
Schistosoma mansoni adenosine deaminase 0.0104 0.006 0.0099
Echinococcus multilocularis tyrosine protein kinase Srms 0.0182 0.0193 0.0193
Schistosoma mansoni serine/threonine protein kinase 0.0324 0.0431 0.1292
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0441 0.0629 0.2265
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.193 0.3138 1
Entamoeba histolytica adenosine deaminase, putative 0.0104 0.006 0.0143
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0195 0.0214 0.0214
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0433 0.0616 0.2632
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0433 0.0616 0.2738
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.6001 1 1
Echinococcus multilocularis protein kinase shaggy 0.0441 0.0629 0.0629
Entamoeba histolytica protein kinase, putative 0.0441 0.0629 0.2801
Brugia malayi hypothetical protein 0.0101 0.0056 0.0229
Loa Loa (eye worm) hypothetical protein 0.007 0.0003 0.0012
Schistosoma mansoni tyrosine kinase 0.0195 0.0214 0.0592
Echinococcus multilocularis cyclin dependent kinase 0.0153 0.0143 0.0143
Echinococcus granulosus tyrosine protein kinase ABL1 0.0085 0.003 0.003
Onchocerca volvulus Serine\/threonine kinase homolog 0.0324 0.0431 0.5745
Treponema pallidum adenosine deaminase 0.0104 0.006 0.5
Brugia malayi cAMP-dependent protein kinase catalytic subunit, putative 0.0143 0.0127 0.052
Schistosoma mansoni tyrosine kinase 0.0098 0.005 0.0066
Echinococcus granulosus tyrosine protein kinase Src64B 0.0195 0.0214 0.0214
Loa Loa (eye worm) hypothetical protein 0.0143 0.0127 0.0456
Trichomonas vaginalis conserved hypothetical protein 0.1129 0.1789 0.819
Echinococcus granulosus tm gpcr rhodopsin 0.5683 0.9465 0.9465
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0433 0.0616 0.2632
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0182 0.0193 0.0193
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.1306 0.2087 0.9606
Entamoeba histolytica protein kinase, putative 0.0131 0.0106 0.0354
Trichomonas vaginalis conserved hypothetical protein 0.1129 0.1789 0.819
Brugia malayi intracellular kinase 0.0441 0.0629 0.2583
Echinococcus granulosus rho-associated protein kinase 1 0.0494 0.0718 0.0718
Brugia malayi Protein kinase domain containing protein 0.1513 0.2437 1
Brugia malayi SH2 domain containing protein 0.0085 0.003 0.0121
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0111 0.0073 0.0073
Loa Loa (eye worm) TK/FER protein kinase 0.0085 0.003 0.0106
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0776 0.1193 0.1193
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0604 0.0903 0.3248
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0195 0.0214 0.0214
Echinococcus granulosus cyclin dependent kinase 1 0.0153 0.0143 0.0143
Giardia lamblia Kinase, PLK 0.0324 0.0431 0.2681
Trichomonas vaginalis CMGC family protein kinase 0.0153 0.0143 0.0391
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0221 0.0257 0.0933
Echinococcus granulosus tyrosine protein kinase Fyn 0.0195 0.0214 0.0214
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0433 0.0616 0.2738
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.103 0.1621 0.7395
Loa Loa (eye worm) TK/FER protein kinase 0.0085 0.003 0.0106
Echinococcus multilocularis rho associated protein kinase 0.0494 0.0718 0.0718
Loa Loa (eye worm) TK protein kinase 0.0131 0.0106 0.038
Trichomonas vaginalis CAMK family protein kinase 0.0324 0.0431 0.1758
Loa Loa (eye worm) hypothetical protein 0.0111 0.0073 0.0262
Echinococcus granulosus neuroglian 0.0109 0.0069 0.0069
Brugia malayi SH2 domain containing protein 0.0085 0.003 0.0121
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0195 0.0214 0.0214
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0195 0.0214 0.0214
Echinococcus granulosus tyrosine protein kinase Srms 0.0085 0.003 0.003
Brugia malayi Fibronectin type III domain containing protein 0.0101 0.0056 0.0229
Brugia malayi Adenosine/AMP deaminase family protein 0.0104 0.006 0.0247
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0433 0.0616 0.2528
Loa Loa (eye worm) TK/FER protein kinase 0.0085 0.003 0.0106
Plasmodium falciparum protein kinase 5 0.0153 0.0143 0.1452
Trichomonas vaginalis CMGC family protein kinase 0.0153 0.0143 0.0391
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0221 0.0257 0.0257
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0433 0.0616 0.9731
Trichomonas vaginalis CAMK family protein kinase 0.0324 0.0431 0.1758
Echinococcus granulosus tyrosine protein kinase Fyn 0.0195 0.0214 0.0214
Loa Loa (eye worm) phosphatidylinositol 3 0.0383 0.0531 0.1912
Loa Loa (eye worm) hypothetical protein 0.0101 0.0056 0.0201
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0221 0.0257 0.0926
Echinococcus granulosus c src tyrosine kinase 0.0098 0.005 0.005
Brugia malayi Immunoglobulin I-set domain containing protein 0.0604 0.0903 0.3706
Loa Loa (eye worm) TK/FER protein kinase 0.0085 0.003 0.0106
Onchocerca volvulus Tyrosine kinase homolog 0.05 0.0729 1
Brugia malayi Stress-activated protein kinase jnk-1 0.0776 0.1193 0.4895
Giardia lamblia Kinase, CMGC GSK 0.0441 0.0629 0.4425
Echinococcus granulosus twitchin 0.012 0.0087 0.0087
Entamoeba histolytica PH domain containing protein kinase, putative 0.0143 0.0127 0.0454
Schistosoma mansoni adenosine deaminase-related 0.0104 0.006 0.0099
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.103 0.1621 0.7395
Echinococcus multilocularis Immunoglobulin 0.0101 0.0056 0.0056
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1356 0.2171 1
Trichomonas vaginalis CMGC family protein kinase 0.0153 0.0143 0.0391
Loa Loa (eye worm) hypothetical protein 0.076 0.1166 0.4195
Echinococcus granulosus tyrosine kinase 0.0182 0.0193 0.0193
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0221 0.0257 0.0257
Loa Loa (eye worm) hypothetical protein 0.007 0.0003 0.0012
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0221 0.0257 0.0933
Loa Loa (eye worm) TK/FER protein kinase 0.0085 0.003 0.0106
Schistosoma mansoni serine/threonine protein kinase 0.0143 0.0127 0.0313
Schistosoma mansoni serine/threonine protein kinase 0.0494 0.0718 0.2214
Echinococcus multilocularis Zinc finger, PHD finger 0.0221 0.0257 0.0257
Plasmodium falciparum glycogen synthase kinase 3 0.0441 0.0629 1
Leishmania major protein kinase A catalytic subunit isoform 1 0.0143 0.0127 0.1169
Loa Loa (eye worm) SRC-1 0.0195 0.0214 0.0768
Echinococcus multilocularis adenosine deaminase 0.0104 0.006 0.006
Trichomonas vaginalis conserved hypothetical protein 0.1129 0.1789 0.819
Brugia malayi hypothetical protein 0.0085 0.003 0.0121
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.1356 0.2171 1
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0441 0.0629 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.0221 0.0257 0.3461
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0221 0.0257 0.2595
Trypanosoma brucei cdc2-related kinase 3 0.0153 0.0143 0.032
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0221 0.0257 0.0933
Loa Loa (eye worm) hypothetical protein 0.0104 0.006 0.0217
Echinococcus multilocularis Immunoglobulin 0.0101 0.0056 0.0056
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0195 0.0214 0.0214
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0143 0.0127 0.0127
Trypanosoma cruzi cdc2-related kinase 1 0.0153 0.0143 0.0079
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0153 0.0143 0.0143
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0324 0.0431 0.0431
Plasmodium vivax protein kinase Crk2 0.0153 0.0143 0.1452
Echinococcus granulosus roundabout 2 0.0119 0.0086 0.0086
Loa Loa (eye worm) hypothetical protein 0.0101 0.0056 0.0201
Echinococcus granulosus c-Jun N-terminal kinases 0.0776 0.1193 0.1193
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0441 0.0629 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0153 0.0143 0.0514
Brugia malayi SRC-1 0.0195 0.0214 0.0876
Brugia malayi Tyrosine-protein kinase abl-1 0.0098 0.005 0.0206
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0143 0.0127 0.0127
Echinococcus granulosus tyrosine protein kinase Blk 0.0182 0.0193 0.0193
Schistosoma mansoni nephrin 0.0109 0.0069 0.0127
Loa Loa (eye worm) TK/FER protein kinase 0.0085 0.003 0.0106
Schistosoma mansoni cell adhesion molecule 0.0111 0.0073 0.0139
Loa Loa (eye worm) TK/FER protein kinase 0.0085 0.003 0.0106
Echinococcus granulosus cyclin dependent kinase 5 0.0153 0.0143 0.0143
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0263 0.0329 0.1777
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0098 0.005 0.005
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0098 0.005 0.0066
Mycobacterium tuberculosis Probable anthranilate phosphoribosyltransferase TrpD 0.1694 0.274 0.2696
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0221 0.0257 0.1063
Loa Loa (eye worm) TK protein kinase 0.0182 0.0193 0.0694
Brugia malayi Protein kinase domain containing protein 0.0085 0.003 0.0121
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0195 0.0214 0.0214
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0221 0.0257 0.0638
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0221 0.0257 0.3461
Entamoeba histolytica protein kinase domain containing protein 0.0441 0.0629 0.2801
Echinococcus multilocularis tyrosine kinase 0.0085 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0101 0.0056 0.0201
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0441 0.0629 0.2265
Echinococcus multilocularis thymidine phosphorylase 0.6001 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0085 0.003 0.0106
Plasmodium vivax glycogen synthase kinase 3, putative 0.0441 0.0629 1
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0101 0.0056 0.0085
Loa Loa (eye worm) hypothetical protein 0.0085 0.003 0.0106
Brugia malayi cell division control protein 2 homolog 0.0153 0.0143 0.0587
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0817 0.1263 1
Entamoeba histolytica adenosine deaminase, putative 0.0104 0.006 0.0143
Plasmodium falciparum cAMP-dependent protein kinase catalytic subunit 0.0143 0.0127 0.1169
Schistosoma mansoni tyrosine kinase 0.074 0.1132 0.3546
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0085 0.003 0.003
Entamoeba histolytica serine/threonine protein kinase, putative 0.0324 0.0431 0.1876
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0195 0.0214 0.0214
Echinococcus multilocularis neuroglian 0.0109 0.0069 0.0069
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0195 0.0214 0.0214
Trichomonas vaginalis CMGC family protein kinase 0.0441 0.0629 0.2696
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0143 0.0127 0.0127
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.5683 0.9465 0.9465
Schistosoma mansoni vesicular amine transporter 0.0101 0.0056 0.0085
Trypanosoma cruzi polo-like protein kinase, putative 0.0324 0.0431 0.1489
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0143 0.0127 0.0127
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0547 0.0807 0.3631
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0182 0.0193 0.0193
Mycobacterium ulcerans thymidine phosphorylase 0.6001 1 1
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0143 0.0127 0.0127
Trypanosoma brucei protein kinase, putative 0.0441 0.0629 1
Schistosoma mansoni tyrosine kinase 0.0791 0.1219 0.3828
Schistosoma mansoni serine/threonine protein kinase 0.0776 0.1193 0.3742
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0221 0.0257 0.0732
Trypanosoma cruzi cdc2-related kinase 3 0.0153 0.0143 0.0079
Entamoeba histolytica cell division protein kinase 2, putative 0.0153 0.0143 0.0529
Trichomonas vaginalis CAMK family protein kinase 0.0165 0.0164 0.0491
Echinococcus granulosus tyrosine protein kinase Src42A 0.0195 0.0214 0.0214
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0085 0.003 0.003
Trichomonas vaginalis CAMK family protein kinase 0.0324 0.0431 0.1758
Trypanosoma cruzi cdc2-related kinase 3 0.0153 0.0143 0.0079
Loa Loa (eye worm) TK/ABL protein kinase 0.0085 0.003 0.0106
Echinococcus granulosus tyrosine kinase 0.0085 0.003 0.003
Echinococcus multilocularis cyclin dependent kinase 1 0.0153 0.0143 0.0143
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0195 0.0214 0.0214
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0153 0.0143 0.0514
Leishmania major protein kinase A catalytic subunit 0.0143 0.0127 0.1169
Entamoeba histolytica cell division protein kinase 2, putative 0.0153 0.0143 0.0529
Schistosoma mansoni kinase 0.0169 0.0171 0.0455
Trichomonas vaginalis CAMK family protein kinase 0.0324 0.0431 0.1758
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.076 0.1166 0.1166
Echinococcus granulosus Immunoglobulin 0.0101 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.0101 0.0056 0.0201
Echinococcus multilocularis tyrosine protein kinase shark 0.0791 0.1219 0.1219
Loa Loa (eye worm) hypothetical protein 0.0101 0.0056 0.0201

Activities

Activity type Activity value Assay description Source Reference
ID50 (functional) = 16.9 uM Compound was tested for its antitumor activity to inhibit 50% of tumor cell growth in mouse leukemia P388 cell lines. ChEMBL. 2066996
ID50 (functional) = 22.5 uM Compound was tested for its antitumor activity to inhibit 50% of tumor cell growth in mouse leukemia L1210 cell lines. ChEMBL. 2066996
Ki (binding) = 0.0000053 M Compound was tested for the inhibition of Adenosine deaminase from calf intestine. ChEMBL. 2066996

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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