Detailed information for compound 1828235

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 660.806 | Formula: C42H40N6O2
  • H donors: 2 H acceptors: 4 LogP: 6.05 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(N1CCC[C@H]1c1ncc([nH]1)c1ccc(cc1)c1ccc(cc1)c1cnc([nH]1)[C@@H]1CCCN1C(=O)Cc1ccccc1)Cc1ccccc1
  • InChi: 1S/C42H40N6O2/c49-39(25-29-9-3-1-4-10-29)47-23-7-13-37(47)41-43-27-35(45-41)33-19-15-31(16-20-33)32-17-21-34(22-18-32)36-28-44-42(46-36)38-14-8-24-48(38)40(50)26-30-11-5-2-6-12-30/h1-6,9-12,15-22,27-28,37-38H,7-8,13-14,23-26H2,(H,43,45)(H,44,46)/t37-,38-/m0/s1
  • InChiKey: VMPMNBIAKKMDRM-UWXQCODUSA-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

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
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0035 0.0009 0.0003
Echinococcus granulosus serine:threonine protein kinase SMG1 0.1383 0.1859 0.1855
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0472 0.0608 0.0603
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0046 0.0023 0.0018
Loa Loa (eye worm) hypothetical protein 0.0911 0.1211 0.1207
Trichomonas vaginalis AGC family protein kinase 0.0046 0.0023 0.0018
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.582 0.7954 0.7953
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0009 0.006
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0112 0.0114 0.0109
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0144 0.0158 0.0153
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0046 0.0023 0.0018
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0046 0.0023 0.0018
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0472 0.0608 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.4368 0.5959 0.5957
Trichomonas vaginalis PIKK family atypical protein kinase 0.3941 0.5373 0.5371
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0037 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.0046 0.0023 0.0018
Giardia lamblia GTOR 0.731 1 1
Echinococcus multilocularis Zinc finger, PHD finger 0.0472 0.0608 0.0603
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0472 0.0608 0.0812
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0472 0.0608 0.0603
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2451 0.3327 0.3323
Loa Loa (eye worm) hypothetical protein 0.1383 0.1859 0.1855
Echinococcus multilocularis protein kinase c iota type 0.0046 0.0023 0.0018
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0045 0.0022 0.0016
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0472 0.0608 0.0603
Mycobacterium ulcerans beta-lactamase 0.0036 0.0009 0.0331
Trichomonas vaginalis PIKK family atypical protein kinase 0.5437 0.7427 0.7426
Loa Loa (eye worm) beta-lactamase 0.0036 0.0009 0.0004
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.1383 0.1859 0.1855
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0035 0.0009 0.0009
Echinococcus granulosus serine:threonine protein kinase N2 0.0046 0.0023 0.0018
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0112 0.0114 0.0109
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0112 0.0114 0.0109
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0009 0.0331
Trypanosoma brucei target of rapamycin kinase 3, putative 0.582 0.7954 0.7953
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0144 0.0158 0.0153
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0472 0.0608 0.0603
Schistosoma mansoni serine/threonine protein kinase 0.0046 0.0023 0.0023
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0009 0.0004
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.731 1 1
Brugia malayi Hr1 repeat family protein 0.0046 0.0023 0.0018
Echinococcus multilocularis ubiquitin specific protease 41 0.0037 0.001 0.0005
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0159 0.0178 0.0173
Loa Loa (eye worm) AGC/PKN protein kinase 0.0046 0.0023 0.0018
Echinococcus granulosus serine threonine protein kinase nrc 0.0089 0.0082 0.0077
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.731 1 1
Leishmania major peptidylprolyl isomerase-like protein 0.0112 0.0114 0.0109
Leishmania major hypothetical protein, conserved 0.0472 0.0608 0.0603
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0472 0.0608 0.0598
Brugia malayi Protein kinase domain containing protein 0.0046 0.0023 0.0018
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0472 0.0608 0.0603
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0472 0.0608 0.0603
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0472 0.0608 0.0603
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0472 0.0608 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1383 0.1859 0.1855
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0009 0.0004
Trichomonas vaginalis PIKK family atypical protein kinase 0.2451 0.3327 0.3323
Echinococcus granulosus voltage gated potassium channel 0.0049 0.0028 0.0023
Leishmania major phosphatidylinositol 3-kinase, putative 0.0472 0.0608 0.0603
Schistosoma mansoni voltage-gated potassium channel 0.0035 0.0009 0.0009
Entamoeba histolytica PH domain containing protein kinase, putative 0.0098 0.0094 0.0084
Loa Loa (eye worm) hypothetical protein 0.0036 0.0009 0.0004
Trichomonas vaginalis PIKK family atypical protein kinase 0.0911 0.1211 0.1207
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.001 0.0005
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0046 0.0023 0.0018
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.731 1 1
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0472 0.0608 1
Giardia lamblia Kinase, AGC PKA 0.0089 0.0082 0.0077
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0159 0.0178 0.0173
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0035 0.0009 0.0003
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0472 0.0608 0.0603
Schistosoma mansoni serine/threonine protein kinase 0.0046 0.0023 0.0023
Brugia malayi follicle stimulating hormone receptor 0.0229 0.0274 0.0269
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0472 0.0608 0.0608
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0009 0.006
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0009 0.006
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0089 0.0082 0.0077
Echinococcus granulosus protein kinase c iota type 0.0046 0.0023 0.0018
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0035 0.0009 0.0009
Schistosoma mansoni serine/threonine protein kinase 0.0046 0.0023 0.0023
Schistosoma mansoni voltage-gated potassium channel 0.0173 0.0198 0.0198
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0096 0.0093 0.0087
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0472 0.0608 0.0603
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.731 1 1
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0088 0.0081 0.0075
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0112 0.0114 0.18
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2451 0.3327 0.3323
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0472 0.0608 0.0603
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0911 0.1211 0.1207
Loa Loa (eye worm) hypothetical protein 0.0036 0.0009 0.0004
Echinococcus multilocularis serine:threonine protein kinase 38 0.0046 0.0023 0.0018
Trichomonas vaginalis AGC family protein kinase 0.0142 0.0156 0.015
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0035 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0036 0.0009 0.0004
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0472 0.0608 0.0812
Schistosoma mansoni serine/threonine protein kinase 0.0046 0.0023 0.0023
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0009 0.0004
Echinococcus multilocularis serine threonine protein kinase 0.0046 0.0023 0.0018
Echinococcus multilocularis voltage gated potassium channel 0.0049 0.0028 0.0023
Echinococcus multilocularis Glutaredoxin protein 5 0.0088 0.0081 0.0075
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0472 0.0608 0.0603
Leishmania major phosphatidylinositol 3-related kinase, putative 0.2451 0.3327 0.3323
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0112 0.0114 0.0104
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0472 0.0608 0.0603
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.3036 0.413 0.4127
Trichomonas vaginalis PIKK family atypical protein kinase 0.731 1 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0096 0.0093 0.0087
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0112 0.0114 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0472 0.0608 0.0603
Mycobacterium tuberculosis Conserved protein 0.0036 0.0009 0.006
Loa Loa (eye worm) hypothetical protein 0.0472 0.0608 0.0603
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0035 0.0009 0.0003
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1383 0.1859 0.1855
Schistosoma mansoni immunophilin 0.0096 0.0093 0.0093
Schistosoma mansoni pyruvate kinase 0.0033 0.0005 0.0005
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0089 0.0082 0.1273
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0046 0.0023 0.0018
Mycobacterium ulcerans lipase LipD 0.0036 0.0009 0.0331
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0009 0.006
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0009 0.0004
Loa Loa (eye worm) hypothetical protein 0.0037 0.001 0.0005
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0037 0.001 0.0005
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0472 0.0608 0.0603
Echinococcus granulosus nervana 2 0.0088 0.0081 0.0075
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0009 0.006
Echinococcus granulosus Protein kinase C brain isozyme 0.0046 0.0023 0.0018
Trypanosoma cruzi Protein kinase B 0.0098 0.0094 0.0089
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0159 0.0178 0.0173
Trichomonas vaginalis PIKK family atypical protein kinase 0.1961 0.2654 0.265
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0009 0.0004
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0089 0.0082 0.1273
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0009 0.0004
Trichomonas vaginalis PIKK family atypical protein kinase 0.4324 0.59 0.5898
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0089 0.0082 0.0077
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0472 0.0608 0.0608
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0472 0.0608 0.0603
Loa Loa (eye worm) hypothetical protein 0.149 0.2006 0.2002
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0472 0.0608 0.0812
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0112 0.0114 0.0109
Trichomonas vaginalis conserved hypothetical protein 0.0911 0.1211 0.1207
Trichomonas vaginalis PIKK family atypical protein kinase 0.5437 0.7427 0.7426
Trichomonas vaginalis PIKK family atypical protein kinase 0.3947 0.5381 0.5379
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0472 0.0608 0.0598
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0035 0.0009 0.0003
Trichomonas vaginalis esterase, putative 0.0036 0.0009 0.0004
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0049 0.0028 0.0023
Echinococcus multilocularis serine protein kinase ATM 0.1383 0.1859 0.1855
Trichomonas vaginalis AGC family protein kinase 0.0046 0.0023 0.0018
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0472 0.0608 0.0603
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0472 0.0608 0.0603
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0009 0.006
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.1069 0.1428 0.1424
Trichomonas vaginalis PIKK family atypical protein kinase 0.5814 0.7946 0.7945
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0046 0.0023 0.0018
Trichomonas vaginalis PIKK family atypical protein kinase 0.6241 0.8532 0.8531
Leishmania major hypothetical protein, conserved 0.0036 0.0009 0.0004
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0472 0.0608 0.0603
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0472 0.0608 0.0603
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.001 0.0005
Trichomonas vaginalis AGC family protein kinase 0.0142 0.0156 0.015
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0472 0.0608 0.0603
Mycobacterium leprae Probable lipase LipE 0.0036 0.0009 0.006
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0472 0.0608 0.0603
Loa Loa (eye worm) phosphatidylinositol 3 0.731 1 1
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0472 0.0608 0.0603
Leishmania major phosphatidylinositol 3-kinase, putative 0.2451 0.3327 0.3323
Entamoeba histolytica hypothetical protein 0.0472 0.0608 0.0598
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0046 0.0023 0.0018
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0472 0.0608 0.0812
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0009 0.0009
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0472 0.0608 0.0603
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0472 0.0608 0.0603
Trichomonas vaginalis PIKK family atypical protein kinase 0.3941 0.5373 0.5371
Trichomonas vaginalis AGC family protein kinase 0.0142 0.0156 0.015
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0472 0.0608 0.0598
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0472 0.0608 0.0598
Loa Loa (eye worm) phosphatidylinositol kinase 0.0472 0.0608 0.0603
Entamoeba histolytica protein kinase, putative 0.0142 0.0156 0.0146
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0472 0.0608 0.0608
Trichomonas vaginalis PIKK family atypical protein kinase 0.4324 0.59 0.5898
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0088 0.0081 0.0075
Echinococcus multilocularis serine:threonine protein kinase N2 0.0046 0.0023 0.0018
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0037 0.001 0.0005
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0472 0.0608 0.0598
Loa Loa (eye worm) hypothetical protein 0.1069 0.1428 0.1424
Onchocerca volvulus 0.0036 0.0009 0.006
Trichomonas vaginalis PIKK family atypical protein kinase 0.4368 0.5959 0.5957
Brugia malayi beta-lactamase family protein 0.0036 0.0009 0.0004
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0951 0.1266 0.1262
Trichomonas vaginalis PIKK family atypical protein kinase 0.0472 0.0608 0.0603
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0112 0.0114 0.0114
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0472 0.0608 0.0603
Loa Loa (eye worm) phosphatidylinositol 3 0.0472 0.0608 0.0603
Brugia malayi Cyclic-nucleotide gated cation channel 0.0035 0.0009 0.0003
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0472 0.0608 0.0603
Brugia malayi Protein kinase domain containing protein 0.0142 0.0156 0.015
Trichomonas vaginalis fk506-binding protein, putative 0.0112 0.0114 0.0109
Echinococcus granulosus hyperpolarization activated cyclic 0.0035 0.0009 0.0003
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0472 0.0608 0.0608
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0046 0.0023 0.0018
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.731 1 1
Brugia malayi p70 ribosomal S6 kinase beta 0.0134 0.0143 0.0138
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0472 0.0608 0.0603
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0028 0.0028
Trichomonas vaginalis PIKK family atypical protein kinase 0.5437 0.7427 0.7426
Trichomonas vaginalis PIKK family atypical protein kinase 0.1383 0.1859 0.1855
Entamoeba histolytica hypothetical protein 0.0472 0.0608 0.0598
Trichomonas vaginalis PIKK family atypical protein kinase 0.3947 0.5381 0.5379
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0472 0.0608 0.0603
Trichomonas vaginalis PIKK family atypical protein kinase 0.2451 0.3327 0.3323
Schistosoma mansoni fkbp-rapamycin associated protein 0.1383 0.1859 0.1859
Schistosoma mansoni serine/threonine protein kinase 0.0046 0.0023 0.0023
Trichomonas vaginalis PIKK family atypical protein kinase 0.731 1 1
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0037 0.001 0.0005
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.1383 0.1859 0.1851
Trichomonas vaginalis AGC family protein kinase 0.0142 0.0156 0.015
Schistosoma mansoni hypothetical protein 0.1069 0.1428 0.1428
Onchocerca volvulus 0.0036 0.0009 0.006
Echinococcus multilocularis nervana 2 0.0088 0.0081 0.0075
Mycobacterium tuberculosis Conserved protein 0.0036 0.0009 0.006
Leishmania major hypothetical protein, unknown function 0.0472 0.0608 0.0603
Entamoeba histolytica protein kinase 2, putative 0.0089 0.0082 0.0072
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0009 0.0004
Entamoeba histolytica protein kinase, putative 0.0046 0.0023 0.0013
Loa Loa (eye worm) FKBP5 protein 0.0112 0.0114 0.0109
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0037 0.001 0.001
Trichomonas vaginalis conserved hypothetical protein 0.154 0.2076 0.2072
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0112 0.0114 0.0109
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0112 0.0114 0.0109
Entamoeba histolytica protein kinase, putative 0.0134 0.0143 0.0133
Leishmania major phosphatidylinositol kinase related protein, putative 0.0472 0.0608 0.0603
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0472 0.0608 0.0603
Loa Loa (eye worm) hypothetical protein 0.0185 0.0214 0.0209
Trichomonas vaginalis PIKK family atypical protein kinase 0.1383 0.1859 0.1855
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0112 0.0114 0.0109
Trichomonas vaginalis PIKK family atypical protein kinase 0.2451 0.3327 0.3323
Trichomonas vaginalis AGC family protein kinase 0.0142 0.0156 0.015
Loa Loa (eye worm) hypothetical protein 0.0036 0.0009 0.0004
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.2451 0.3327 0.3323
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0472 0.0608 0.0603
Loa Loa (eye worm) hypothetical protein 0.0139 0.015 0.0145
Onchocerca volvulus 0.0472 0.0608 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0472 0.0608 0.0603
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0112 0.0114 0.0109
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0472 0.0608 0.0598
Schistosoma mansoni serine/threonine protein kinase 0.0046 0.0023 0.0023
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0112 0.0114 0.5
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0035 0.0009 0.0003
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0037 0.001 0.0005
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.731 1 1
Loa Loa (eye worm) hypothetical protein 0.154 0.2076 0.2072
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0009 0.006
Trichomonas vaginalis AGC family protein kinase 0.0142 0.0156 0.015
Brugia malayi beta-lactamase 0.0036 0.0009 0.0004
Leishmania major phosphatidylinositol 4-kinase, putative 0.0472 0.0608 0.0603
Trichomonas vaginalis PIKK family atypical protein kinase 0.5437 0.7427 0.7426
Trichomonas vaginalis PIKK family atypical protein kinase 0.5437 0.7427 0.7426
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0112 0.0114 0.0109
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0472 0.0608 0.0603
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0472 0.0608 0.0608
Trichomonas vaginalis PIKK family atypical protein kinase 0.5437 0.7427 0.7426
Echinococcus granulosus nervana 2 0.0088 0.0081 0.0075
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0472 0.0608 0.0603
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0472 0.0608 0.0603
Trichomonas vaginalis PIKK family atypical protein kinase 0.0472 0.0608 0.0603
Echinococcus multilocularis serine:threonine protein kinase N2 0.0046 0.0023 0.0018
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0009 0.0004
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0472 0.0608 1
Onchocerca volvulus 0.0036 0.0009 0.006
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0035 0.0009 0.0003
Trichomonas vaginalis PIKK family atypical protein kinase 0.4903 0.6695 0.6693
Trichomonas vaginalis PIKK family atypical protein kinase 0.5437 0.7427 0.7426
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0472 0.0608 0.0603
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0037 0.001 0.0005
Schistosoma mansoni voltage-gated potassium channel 0.0173 0.0198 0.0198
Trichomonas vaginalis conserved hypothetical protein 0.1069 0.1428 0.1424
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0009 0.006
Schistosoma mansoni hypothetical protein 0.0472 0.0608 0.0608
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0472 0.0608 0.0603
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0472 0.0608 0.0812
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.1383 0.1859 0.1859
Echinococcus granulosus serine/threonine protein kinase 0.0098 0.0094 0.0089
Toxoplasma gondii non-specific serine/threonine protein kinase 0.154 0.2076 0.279
Schistosoma mansoni serine/threonine protein kinase 0.0046 0.0023 0.0023
Brugia malayi FAT domain containing protein 0.1069 0.1428 0.1424
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0472 0.0608 0.0603
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.731 1 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0037 0.001 0.0005
Chlamydia trachomatis pyruvate kinase 0.0033 0.0005 0.5
Echinococcus granulosus protein kinase c epsilon type 0.0046 0.0023 0.0018
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0037 0.001 0.0005
Entamoeba histolytica protein kinase, putative 0.0142 0.0156 0.0146
Echinococcus granulosus NDR protein kinase 0.0046 0.0023 0.0018
Trichomonas vaginalis PIKK family atypical protein kinase 0.2451 0.3327 0.3323
Entamoeba histolytica hypothetical protein 0.1383 0.1859 0.1851
Schistosoma mansoni atypical protein kinase C 0.0046 0.0023 0.0023
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0472 0.0608 0.0608
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0472 0.0608 0.0603
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0049 0.0028 0.0023
Trichomonas vaginalis PIKK family atypical protein kinase 0.3947 0.5381 0.5379
Trichomonas vaginalis PIKK family atypical protein kinase 0.5814 0.7946 0.7945
Trichomonas vaginalis conserved hypothetical protein 0.017 0.0194 0.0189
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0472 0.0608 0.0608
Trichomonas vaginalis PIKK family atypical protein kinase 0.3941 0.5373 0.5371
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0035 0.0009 0.0009
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0049 0.0028 0.0023
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0159 0.0178 0.0173
Entamoeba histolytica hypothetical protein 0.0472 0.0608 0.0598
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0112 0.0114 0.18
Mycobacterium tuberculosis Conserved protein 0.0036 0.0009 0.006
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0035 0.0009 0.0003
Giardia lamblia Phosphatidylinositol 4-kinase 0.0472 0.0608 0.0603
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.0009 0.0003
Entamoeba histolytica protein kinase rad3, putative 0.1383 0.1859 0.1851
Echinococcus multilocularis protein kinase c epsilon type 0.0046 0.0023 0.0018
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0472 0.0608 0.0598
Loa Loa (eye worm) AGC/NDR protein kinase 0.0046 0.0023 0.0018
Echinococcus multilocularis 0.0472 0.0608 0.0603
Toxoplasma gondii target of rapamycin (TOR), putative 0.5437 0.7427 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.1383 0.1859 0.1855
Schistosoma mansoni immunophilin 0.0112 0.0114 0.0114
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0472 0.0608 1
Echinococcus multilocularis hyperpolarization activated cyclic 0.0035 0.0009 0.0003
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0046 0.0023 0.0018
Entamoeba histolytica PH domain containing protein kinase, putative 0.0098 0.0094 0.0084
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0089 0.0082 0.0077
Trichomonas vaginalis AGC family protein kinase 0.0142 0.0156 0.015
Echinococcus granulosus ubiquitin specific protease 41 0.0037 0.001 0.0005
Loa Loa (eye worm) hypothetical protein 0.0036 0.0009 0.0004
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.1069 0.1428 0.1424
Trichomonas vaginalis PIKK family atypical protein kinase 0.1383 0.1859 0.1855
Brugia malayi beta-lactamase family protein 0.0036 0.0009 0.0004
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0046 0.0023 0.0018
Trypanosoma brucei rac serine-threonine kinase, putative 0.0142 0.0156 0.015
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.001 0.0005
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0009 0.006
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0472 0.0608 0.0598
Echinococcus multilocularis hyperpolarization activated cyclic 0.0035 0.0009 0.0003
Echinococcus multilocularis fk506 binding protein 0.0112 0.0114 0.0109
Mycobacterium tuberculosis Conserved hypothetical protein 0.0472 0.0608 1
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0028 0.0028
Leishmania major fk506-binding protein 1-like protein 0.0112 0.0114 0.0109
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.731 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.2451 0.3327 0.3323
Loa Loa (eye worm) hypothetical protein 0.0472 0.0608 0.0603
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0035 0.0009 0.0009
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0112 0.0114 0.0109
Mycobacterium ulcerans hypothetical protein 0.0036 0.0009 0.0331
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0009 0.0004
Brugia malayi protein kinase C II. 0.0046 0.0023 0.0018
Trichomonas vaginalis PIKK family atypical protein kinase 0.731 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0009 0.0009
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0009 0.0004
Schistosoma mansoni immunophilin 0.0112 0.0114 0.0114
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0472 0.0608 0.0603
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0009 0.0004
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0472 0.0608 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.2451 0.3327 0.3323
Schistosoma mansoni serine/threonine-protein kinase 0.0098 0.0094 0.0094
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0046 0.0023 0.0018
Echinococcus multilocularis nervana 2 0.0088 0.0081 0.0075
Trichomonas vaginalis PIKK family atypical protein kinase 0.4745 0.6478 0.6476
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0472 0.0608 0.0603
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0229 0.0274 0.0269
Trichomonas vaginalis immunophilin, putative 0.0112 0.0114 0.0109
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0472 0.0608 0.0603
Schistosoma mansoni pyruvate kinase 0.0033 0.0005 0.0005
Schistosoma mansoni serine/threonine kinase 0.0046 0.0023 0.0023
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0035 0.0009 0.0003
Loa Loa (eye worm) phosphatidylinositol 3 0.0472 0.0608 0.0603
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.731 1 1
Plasmodium vivax hypothetical protein 0.0472 0.0608 1
Mycobacterium leprae conserved hypothetical protein 0.0472 0.0608 1
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0472 0.0608 0.0603
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.1383 0.1859 0.1855
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0472 0.0608 0.0603
Trichomonas vaginalis PIKK family atypical protein kinase 0.3947 0.5381 0.5379
Loa Loa (eye worm) phosphatidylinositol 3 0.0472 0.0608 0.0603
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0112 0.0114 0.0109
Loa Loa (eye worm) phosphatidylinositol 3 0.2451 0.3327 0.3323
Loa Loa (eye worm) hypothetical protein 0.0096 0.0093 0.0087
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0472 0.0608 0.0603
Toxoplasma gondii FATC domain-containing protein 0.1383 0.1859 0.2498
Loa Loa (eye worm) hypothetical protein 0.0035 0.0009 0.0003
Echinococcus multilocularis rac serine:threonine kinase 0.0098 0.0094 0.0089
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.001 0.0005
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0112 0.0114 0.0109
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0472 0.0608 0.0603
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0112 0.0114 0.0109
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0472 0.0608 0.0603
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.3457 0.4708 0.4705
Loa Loa (eye worm) hypothetical protein 0.0036 0.0009 0.0004
Trichomonas vaginalis PIKK family atypical protein kinase 0.5814 0.7946 0.7945
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0035 0.0009 0.0003
Loa Loa (eye worm) hypothetical protein 0.0049 0.0028 0.0023
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0098 0.0094 0.0089
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0472 0.0608 0.0603
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0185 0.0214 0.0209
Trichomonas vaginalis AGC family protein kinase 0.0046 0.0023 0.0018
Trypanosoma cruzi target of rapamycin kinase 3 0.582 0.7954 0.7953
Echinococcus granulosus protein kinase C gamma type 0.0046 0.0023 0.0018
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0472 0.0608 0.0603
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0112 0.0114 0.0109
Echinococcus granulosus serine protein kinase ATM 0.1383 0.1859 0.1855
Leishmania major phosphatidylinositol kinase, putative 0.0472 0.0608 0.0603
Trichomonas vaginalis PIKK family atypical protein kinase 0.5814 0.7946 0.7945
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.1383 0.1859 0.1855
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0472 0.0608 1
Onchocerca volvulus 0.0472 0.0608 1
Loa Loa (eye worm) AGC/AKT protein kinase 0.0142 0.0156 0.015
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0472 0.0608 0.0603
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0112 0.0114 0.0109
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0472 0.0608 0.0603
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.2451 0.3327 0.3323
Trichomonas vaginalis PIKK family atypical protein kinase 0.5814 0.7946 0.7945
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0472 0.0608 0.0603
Toxoplasma gondii ABC1 family protein 0.0036 0.0009 0.0005
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.2451 0.3327 0.3323
Schistosoma mansoni serine/threonine-protein kinase 0.0098 0.0094 0.0094
Toxoplasma gondii AGC kinase 0.0134 0.0143 0.0186
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.2451 0.3327 0.3327
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0472 0.0608 0.0603
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0112 0.0114 0.0104
Giardia lamblia Hypothetical protein 0.0472 0.0608 0.0603
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0009 0.0331
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.0009 0.0003
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0112 0.0114 0.0109
Plasmodium vivax hypothetical protein, conserved 0.0472 0.0608 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.731 1 1
Trichomonas vaginalis AGC family protein kinase 0.0055 0.0035 0.003
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0134 0.0143 0.0138
Entamoeba histolytica hypothetical protein 0.0472 0.0608 0.0598
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0037 0.001 0.0005
Echinococcus granulosus Glutaredoxin protein 5 0.0088 0.0081 0.0075
Loa Loa (eye worm) phosphatidylinositol 3 0.0472 0.0608 0.0603
Loa Loa (eye worm) phosphatidylinositol 3 0.0472 0.0608 0.0603
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.731 1 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0009 0.0004
Echinococcus granulosus hyperpolarization activated cyclic 0.0035 0.0009 0.0003
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0037 0.001 0.0005
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.0272 0.4425
Brugia malayi Protein kinase domain containing protein 0.0046 0.0023 0.0018
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.2451 0.3327 0.3323
Trichomonas vaginalis PIKK family atypical protein kinase 0.4368 0.5959 0.5957

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) > 10000 nM Cytotoxicity against human HuH7 cells infected with HCV genotype 1b after 72 hrs by Alamar blue assay ChEMBL. 24437689

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

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.