Detailed information for compound 1532737

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 532.467 | Formula: C22H27F3N4O8
  • H donors: 3 H acceptors: 6 LogP: -1.75 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)C(F)(F)F.COc1ccc(cc1)NC(=O)N(C[C@H]1N[C@@]([C@@H]2[C@H]1C(=O)N(C2=O)C)(C)C(=O)OC)C
  • InChi: 1S/C20H26N4O6.C2HF3O2/c1-20(18(27)30-5)15-14(16(25)24(3)17(15)26)13(22-20)10-23(2)19(28)21-11-6-8-12(29-4)9-7-11;3-2(4,5)1(6)7/h6-9,13-15,22H,10H2,1-5H3,(H,21,28);(H,6,7)/t13-,14+,15-,20-;/m1./s1
  • InChiKey: OCRMTZADQHIERG-NFCXNVDASA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.126 1 1
Echinococcus multilocularis G protein coupled receptor kinase 1 0.0211 0.1424 0.1424
Schistosoma mansoni protein kinase C 0.0261 0.1837 0.1784
Leishmania major hypothetical protein, conserved 0.007 0.0275 0.0729
Brugia malayi cAMP-dependent protein kinase catalytic subunit, putative 0.0479 0.362 0.3602
Trichomonas vaginalis AGC family protein kinase 0.0308 0.222 0.5979
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0059 0.0185 0.0185
Mycobacterium ulcerans hypothetical protein 0.007 0.0275 0.0875
Entamoeba histolytica diacylglycerol kinase, putative 0.0229 0.1574 0.2711
Schistosoma mansoni serine/threonine protein kinase 0.0308 0.222 0.217
Echinococcus granulosus raf serine:threonine protein kinase 0.023 0.1584 0.1584
Trypanosoma brucei protein kinase A catalytic subunit, putative 0.0479 0.362 1
Brugia malayi DnaJ domain containing protein 0.006 0.0191 0.0163
Entamoeba histolytica PH domain containing protein kinase, putative 0.0489 0.3699 0.6603
Trichomonas vaginalis penicillin-binding protein, putative 0.007 0.0275 0.0396
Loa Loa (eye worm) hypothetical protein 0.0229 0.1574 0.155
Loa Loa (eye worm) hypothetical protein 0.0143 0.0873 0.0847
Loa Loa (eye worm) hypothetical protein 0.0128 0.0747 0.072
Trichomonas vaginalis AGC family protein kinase 0.0318 0.2299 0.6206
Brugia malayi Protein kinase domain containing protein 0.0308 0.222 0.2197
Entamoeba histolytica PH domain containing protein kinase, putative 0.0716 0.5554 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.0831 0.0772
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0319 0.2306 0.2256
Loa Loa (eye worm) hypothetical protein 0.0143 0.0873 0.0847
Loa Loa (eye worm) hypothetical protein 0.0145 0.0886 0.086
Loa Loa (eye worm) hypothetical protein 0.007 0.0275 0.0247
Schistosoma mansoni serine/threonine protein kinase 0.0308 0.222 0.217
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0308 0.222 0.222
Trypanosoma cruzi hypothetical protein, conserved 0.0143 0.087 0.2377
Loa Loa (eye worm) hypothetical protein 0.007 0.0275 0.0247
Trichomonas vaginalis conserved hypothetical protein 0.0128 0.0747 0.1752
Schistosoma mansoni diacylglycerol kinase theta 0.0229 0.1574 0.152
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0308 0.222 0.222
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0044 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0229 0.1574 0.155
Echinococcus multilocularis protoporphyrinogen oxidase 0.0081 0.0362 0.0362
Trichomonas vaginalis conserved hypothetical protein 0.0128 0.0747 0.1752
Loa Loa (eye worm) RasGEF domain-containing protein 0.0229 0.1574 0.155
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0143 0.087 0.2104
Echinococcus multilocularis regulator of G protein signaling 3 0.0128 0.0747 0.0747
Loa Loa (eye worm) hypothetical protein 0.0319 0.2306 0.2284
Echinococcus multilocularis Regulator of G protein signaling 20 0.0128 0.0747 0.0747
Echinococcus granulosus Diacylglycerol kinase theta 0.0229 0.1574 0.1574
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0388 0.2874 0.2853
Loa Loa (eye worm) hypothetical protein 0.0081 0.0362 0.0335
Echinococcus multilocularis geminin 0.0205 0.1375 0.1375
Schistosoma mansoni serine/threonine protein kinase 0.1185 0.9389 0.9385
Echinococcus multilocularis G protein coupled receptor kinase 6 0.0557 0.4257 0.4257
Loa Loa (eye worm) hypothetical protein 0.0128 0.0747 0.072
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0138 0.0831 0.0831
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0044 0.0064 0.0064
Trichomonas vaginalis conserved hypothetical protein 0.0128 0.0747 0.1752
Schistosoma mansoni axis inhibition protein axin 0.0128 0.0747 0.0687
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0308 0.222 0.2197
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0685 0.5302 0.5288
Trichomonas vaginalis alpha-glucosidase, putative 0.0143 0.087 0.2104
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0245 0.1702 0.1702
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0233 0.161 0.161
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0039 0.0018 0.0018
Plasmodium vivax hypothetical protein, conserved 0.0081 0.0362 0.0262
Echinococcus granulosus N chimaerin 0.0233 0.161 0.161
Trichomonas vaginalis AGC family protein kinase 0.0318 0.2299 0.6206
Brugia malayi Glycosyl hydrolases family 31 protein 0.0143 0.087 0.0843
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0059 0.0185 0.0185
Loa Loa (eye worm) G protein-coupled receptor kinase 1 0.0557 0.4257 0.424
Trichomonas vaginalis AGC family protein kinase 0.0308 0.222 0.5979
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0479 0.362 0.362
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 2 0.0479 0.362 1
Leishmania major alpha glucosidase II subunit, putative 0.0143 0.087 0.2377
Entamoeba histolytica protein kinase, putative 0.0308 0.222 0.3894
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0347 0.2543 1
Echinococcus granulosus regulator of G protein signaling 3 0.0128 0.0747 0.0747
Echinococcus multilocularis protein kinase c eta type 0.0229 0.1574 0.1574
Onchocerca volvulus 0.0143 0.0873 0.1258
Trichomonas vaginalis maltase-glucoamylase, putative 0.0143 0.087 0.2104
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0081 0.0362 0.0515
Loa Loa (eye worm) hypothetical protein 0.0229 0.1574 0.155
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0044 0.0064 0.0064
Echinococcus granulosus protein kinase c eta type 0.0229 0.1574 0.1574
Schistosoma mansoni alpha glucosidase 0.0143 0.087 0.0811
Schistosoma mansoni atypical protein kinase C 0.0745 0.5795 0.5768
Brugia malayi beta-lactamase family protein 0.007 0.0275 0.0247
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0479 0.362 1
Echinococcus multilocularis myotubularin protein 13 0.0239 0.1653 0.1653
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0044 0.0064 0.0064
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0233 0.161 0.1586
Onchocerca volvulus 0.0344 0.2512 0.4057
Echinococcus granulosus tyrosine protein kinase Fyn 0.0044 0.0064 0.0064
Brugia malayi RhoGEF domain containing protein 0.0229 0.1574 0.155
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0388 0.2874 0.2853
Loa Loa (eye worm) hypothetical protein 0.0769 0.5991 0.598
Loa Loa (eye worm) hypothetical protein 0.1077 0.8509 0.8505
Onchocerca volvulus 0.0372 0.2745 0.4456
Loa Loa (eye worm) AGC/PKA protein kinase 0.0479 0.362 0.3602
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.0275 0.0396
Schistosoma mansoni vav2 0.0243 0.1689 0.1636
Loa Loa (eye worm) beta-lactamase 0.007 0.0275 0.0247
Loa Loa (eye worm) Ras association domain family 1 isoform A 0.0229 0.1574 0.155
Schistosoma mansoni serine/threonine kinase 0.0308 0.222 0.217
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0233 0.161 0.1556
Entamoeba histolytica hypothetical protein 0.0128 0.0747 0.1197
Echinococcus multilocularis raf serine:threonine protein kinase 0.023 0.1584 0.1584
Schistosoma mansoni regulator of G protein signaling 0.0128 0.0747 0.0687
Echinococcus granulosus axis inhibition protein axin 0.0128 0.0747 0.0747
Trichomonas vaginalis alpha-glucosidase, putative 0.0143 0.087 0.2104
Loa Loa (eye worm) hypothetical protein 0.0229 0.1574 0.155
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0557 0.4257 0.424
Loa Loa (eye worm) hypothetical protein 0.007 0.0275 0.0247
Echinococcus granulosus beta LACTamase domain containing family member 0.007 0.0275 0.0275
Loa Loa (eye worm) hypothetical protein 0.007 0.0275 0.0247
Brugia malayi Hr1 repeat family protein 0.0308 0.222 0.2197
Echinococcus granulosus tyrosine protein kinase Blk 0.004 0.0029 0.0029
Echinococcus granulosus RNA directed DNA polymerase 0.0616 0.4736 0.4736
Loa Loa (eye worm) hypothetical protein 0.0769 0.5991 0.598
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0319 0.2306 0.2306
Mycobacterium tuberculosis Possible oxidoreductase 0.0081 0.0362 0.0284
Echinococcus multilocularis expressed conserved protein 0.0059 0.0185 0.0185
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0128 0.0747 0.0747
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 1 0.0479 0.362 1
Echinococcus granulosus regulator of G protein signaling 7 0.0128 0.0747 0.0747
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0143 0.087 0.1422
Echinococcus granulosus protein kinase c epsilon type 0.126 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.0275 0.0396
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0479 0.362 0.362
Entamoeba histolytica hypothetical protein 0.0229 0.1574 0.2711
Schistosoma mansoni hypothetical protein 0.0049 0.0104 0.004
Schistosoma mansoni rac gtpase activating protein 0.0229 0.1574 0.152
Leishmania major protein kinase A catalytic subunit isoform 2 0.0479 0.362 1
Loa Loa (eye worm) AGC/PKG protein kinase 0.0059 0.0185 0.0157
Echinococcus multilocularis muscleblind protein 1 0.0145 0.0886 0.0886
Loa Loa (eye worm) hypothetical protein 0.0372 0.2745 0.2725
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0053 0.0137 0.0347
Brugia malayi PXA domain containing protein 0.0128 0.0747 0.072
Schistosoma mansoni amine oxidase 0.0081 0.0362 0.03
Echinococcus granulosus Protein kinase C brain isozyme 0.1185 0.9389 0.9389
Loa Loa (eye worm) hypothetical protein 0.0145 0.0886 0.086
Echinococcus granulosus protein kinase C gamma type 0.0956 0.7517 0.7517
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0233 0.161 0.1556
Schistosoma mansoni hypothetical protein 0.0205 0.1375 0.1319
Schistosoma mansoni amine oxidase 0.0081 0.0362 0.03
Schistosoma mansoni regulator of G protein signaling 0.0128 0.0747 0.0687
Loa Loa (eye worm) hypothetical protein 0.0239 0.1653 0.1629
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0128 0.0747 0.0687
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0053 0.0137 0.008
Plasmodium falciparum cAMP-dependent protein kinase catalytic subunit 0.0479 0.362 1
Giardia lamblia Kinase, AGC PKA 0.0479 0.362 0.5
Loa Loa (eye worm) hypothetical protein 0.0229 0.1574 0.155
Loa Loa (eye worm) hypothetical protein 0.007 0.0275 0.0247
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0138 0.0831 0.0805
Loa Loa (eye worm) hypothetical protein 0.0769 0.5991 0.598
Loa Loa (eye worm) AGC/AKT protein kinase 0.0318 0.2299 0.2276
Trichomonas vaginalis AGC family protein kinase 0.0318 0.2299 0.6206
Echinococcus granulosus neutral alpha glucosidase AB 0.0143 0.087 0.087
Entamoeba histolytica PH domain containing protein kinase, putative 0.0489 0.3699 0.6603
Schistosoma mansoni serine/threonine protein kinase 0.0338 0.2469 0.242
Schistosoma mansoni serine/threonine protein kinase 0.0308 0.222 0.217
Brugia malayi regulator of G-protein signaling egl-10 0.0128 0.0747 0.072
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0044 0.0064 0.0064
Brugia malayi Protein kinase c protein 2 0.0893 0.6999 0.6991
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0338 0.2469 0.2447
Echinococcus multilocularis GPCR, family 2 0.0049 0.0104 0.0104
Trichomonas vaginalis AGC family protein kinase 0.0318 0.2299 0.6206
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0308 0.222 0.2197
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0275 0.0729
Trypanosoma cruzi UDP-galactopyranose mutase 0.0081 0.0362 0.0972
Toxoplasma gondii AGC kinase 0.0479 0.362 1
Echinococcus granulosus regulator of G protein signaling 3 0.0128 0.0747 0.0747
Brugia malayi Protein kinase domain containing protein 0.0245 0.1702 0.1678
Brugia malayi hypothetical protein 0.0128 0.0747 0.072
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.0104 0.0104
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0347 0.2543 1
Loa Loa (eye worm) hypothetical protein 0.0382 0.2824 0.2804
Echinococcus multilocularis regulator of G protein signaling 0.0128 0.0747 0.0747
Schistosoma mansoni hypothetical protein 0.0205 0.1375 0.1319
Brugia malayi Egg laying defective protein 4 0.0059 0.0185 0.0157
Trichomonas vaginalis conserved hypothetical protein 0.0128 0.0747 0.1752
Schistosoma mansoni protein kinase C mu 0.0229 0.1574 0.152
Echinococcus granulosus geminin 0.0205 0.1375 0.1375
Mycobacterium tuberculosis Conserved hypothetical protein 0.0081 0.0362 0.0284
Echinococcus granulosus regulator of G protein signaling 7 0.0128 0.0747 0.0747
Onchocerca volvulus 0.007 0.0275 0.0236
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0155 0.0973 0.0947
Echinococcus multilocularis RNA directed DNA polymerase 0.0616 0.4736 0.4736
Echinococcus multilocularis expressed protein 0.0128 0.0747 0.0747
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.007 0.0275 0.0247
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 1 0.0479 0.362 1
Loa Loa (eye worm) hypothetical protein 0.0128 0.0747 0.072
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.007 0.0275 0.0875
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0479 0.362 0.362
Loa Loa (eye worm) hypothetical protein 0.0128 0.0747 0.072
Echinococcus multilocularis regulator of G protein signaling 7 0.0128 0.0747 0.0747
Echinococcus multilocularis protein kinase c epsilon type 0.126 1 1
Schistosoma mansoni hypothetical protein 0.0229 0.1574 0.152
Echinococcus multilocularis lysosomal alpha glucosidase 0.0644 0.4965 0.4965
Mycobacterium ulcerans dehydrogenase 0.0081 0.0362 0.1228
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0081 0.0362 0.1228
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0128 0.0747 0.072
Brugia malayi p70 ribosomal S6 kinase beta 0.0308 0.222 0.2197
Trichomonas vaginalis AGC family protein kinase 0.0318 0.2299 0.6206
Onchocerca volvulus 0.0372 0.2746 0.4456
Onchocerca volvulus 0.0382 0.2824 0.4591
Echinococcus granulosus NDR protein kinase 0.0308 0.222 0.222
Brugia malayi amine oxidase, flavin-containing family protein 0.0106 0.0569 0.0542
Schistosoma mansoni alpha-glucosidase 0.0554 0.4232 0.4195
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.0104 0.0104
Loa Loa (eye worm) hypothetical protein 0.0106 0.057 0.0543
Loa Loa (eye worm) hypothetical protein 0.0053 0.0137 0.0108
Loa Loa (eye worm) hypothetical protein 0.0998 0.7863 0.7857
Echinococcus granulosus lysosomal alpha glucosidase 0.0644 0.4965 0.4965
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0479 0.362 0.362
Echinococcus granulosus G protein coupled receptor kinase 1 0.0211 0.1424 0.1424
Loa Loa (eye worm) hypothetical protein 0.0344 0.2512 0.249
Onchocerca volvulus 0.007 0.0275 0.0236
Schistosoma mansoni diacylglycerol kinase theta 0.0229 0.1574 0.152
Trypanosoma brucei hypothetical protein, conserved 0.007 0.0275 0.0729
Trichomonas vaginalis esterase, putative 0.007 0.0275 0.0396
Echinococcus granulosus cGMP dependent protein kinase 1 0.0059 0.0185 0.0185
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.004 0.0029 0.0029
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.007 0.0275 0.0212
Mycobacterium ulcerans monoamine oxidase 0.0081 0.0362 0.1228
Leishmania major protein kinase A catalytic subunit 0.0479 0.362 1
Echinococcus granulosus cGMP dependent protein kinase 0.0059 0.0185 0.0185
Brugia malayi Protein kinase domain containing protein 0.0308 0.222 0.2197
Trypanosoma cruzi UDP-galactopyranose mutase 0.0081 0.0362 0.0972
Mycobacterium ulcerans oxidoreductase 0.0081 0.0362 0.1228
Echinococcus multilocularis serine:threonine protein kinase N2 0.0998 0.7865 0.7865
Schistosoma mansoni serine/threonine protein kinase 0.0308 0.222 0.217
Brugia malayi SRC-1 0.0044 0.0064 0.0035
Echinococcus multilocularis Protein kinase C, brain isozyme 0.1185 0.9389 0.9389
Schistosoma mansoni regulator of G protein signaling 0.0128 0.0747 0.0687
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0155 0.0973 0.0947
Brugia malayi beta-lactamase 0.007 0.0275 0.0247
Echinococcus multilocularis 0.0081 0.0362 0.0362
Brugia malayi Latrophilin receptor protein 2 0.0049 0.0104 0.0075
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0044 0.0064 0.0064
Schistosoma mansoni serine/threonine protein kinase 0.126 1 1
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0159 0.1002 0.0976
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.0104 0.0075
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0644 0.4965 0.495
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0053 0.0137 0.0347
Loa Loa (eye worm) hypothetical protein 0.0081 0.0362 0.0335
Brugia malayi latrophilin 2 splice variant baaae 0.0106 0.057 0.0543
Brugia malayi Protein kinase domain containing protein 0.0318 0.2299 0.2276
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0044 0.0064 0.0064
Leishmania major protein kinase A catalytic subunit isoform 1 0.0479 0.362 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0049 0.0104 0.0104
Loa Loa (eye worm) hypothetical protein 0.0128 0.0747 0.072
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0292 0.2091 0.5611
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0479 0.362 0.362
Toxoplasma gondii histone lysine-specific demethylase 0.0081 0.0362 0.0515
Echinococcus multilocularis neutral alpha glucosidase AB 0.0143 0.087 0.087
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.0275 0.0396
Brugia malayi Regulator of G protein signaling domain containing protein 0.0128 0.0747 0.072
Onchocerca volvulus 0.0769 0.5991 1
Schistosoma mansoni serine/threonine protein kinase 0.0338 0.2469 0.242
Brugia malayi Ras association domain family 1 isoform A 0.0229 0.1574 0.155
Loa Loa (eye worm) hypothetical protein 0.0319 0.2306 0.2284
Trichomonas vaginalis AGC family protein kinase 0.0318 0.2299 0.6206
Echinococcus multilocularis protein kinase c iota type 0.0731 0.5678 0.5678
Echinococcus multilocularis regulator of G protein signaling 7 0.0128 0.0747 0.0747
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0479 0.362 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0044 0.0064 0.0064
Echinococcus granulosus serine:threonine protein kinase N2 0.0706 0.5475 0.5475
Echinococcus granulosus myotubularin protein 13 0.0239 0.1653 0.1653
Echinococcus multilocularis serine:threonine protein kinase N2 0.0308 0.222 0.222
Brugia malayi RhoGAP domain containing protein 0.0229 0.1574 0.155
Echinococcus granulosus tyrosine kinase 0.004 0.0029 0.0029
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0081 0.0362 0.0515
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0143 0.087 0.0843
Brugia malayi hypothetical protein 0.0081 0.0362 0.0335
Brugia malayi RhoGAP domain containing protein 0.0233 0.161 0.1586
Schistosoma mansoni unc-13 (munc13) 0.0261 0.1837 0.1784
Brugia malayi PXA domain containing protein 0.0128 0.0747 0.072
Mycobacterium ulcerans esterase/lipase LipP 0.007 0.0275 0.0875
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0081 0.0362 0.0262
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0128 0.0747 0.0687
Brugia malayi Variant SH3 domain containing protein 0.0046 0.008 0.0051
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0081 0.0362 0.03
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0557 0.4257 0.424
Echinococcus granulosus expressed protein 0.0128 0.0747 0.0747
Echinococcus granulosus enhancer of mRNA decapping protein 4 0.0464 0.3492 0.3492
Toxoplasma gondii diacylglycerol kinase, putative 0.0229 0.1574 0.4042
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0143 0.087 0.1422
Loa Loa (eye worm) hypothetical protein 0.0845 0.6608 0.6598
Schistosoma mansoni unc-13 (munc13) 0.0261 0.1837 0.1784
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0685 0.5302 0.5288
Echinococcus multilocularis regulator of G protein signaling 3 0.0128 0.0747 0.0747
Trypanosoma brucei glucosidase, putative 0.0143 0.087 0.2377
Trichomonas vaginalis AGC family protein kinase 0.0479 0.362 1
Echinococcus multilocularis axis inhibition protein axin 0.0128 0.0747 0.0747
Schistosoma mansoni serine/threonine protein kinase 0.0685 0.5302 0.5272
Loa Loa (eye worm) hypothetical protein 0.0128 0.0747 0.072
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0479 0.362 0.362
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0044 0.0064 0.0064
Echinococcus granulosus tyrosine protein kinase Lyn 0.006 0.0192 0.0192
Loa Loa (eye worm) SRC-1 0.0044 0.0064 0.0035
Entamoeba histolytica protein kinase, putative 0.0308 0.222 0.3894
Loa Loa (eye worm) AGC/PKN protein kinase 0.0308 0.222 0.2197
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0308 0.222 0.222
Brugia malayi Glycosyl hydrolases family 31 protein 0.0644 0.4965 0.495
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0138 0.0831 0.0831
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0044 0.0064 0.0064
Schistosoma mansoni alpha-glucosidase 0.0554 0.4232 0.4195
Trichomonas vaginalis conserved hypothetical protein 0.0128 0.0747 0.1752
Loa Loa (eye worm) AGC/PKA protein kinase 0.0479 0.362 0.3602
Echinococcus multilocularis beta LACTamase domain containing family member 0.007 0.0275 0.0275
Plasmodium vivax cAMP-dependent protein kinase catalytic subunit, putative 0.0479 0.362 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.0831 0.0772
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0308 0.222 0.222
Trichomonas vaginalis protein kinase inhibitor, putative 0.006 0.0191 0.0156
Echinococcus multilocularis tyrosine protein kinase Srms 0.004 0.0029 0.0029
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0049 0.0104 0.0104
Echinococcus multilocularis axis inhibition protein axin 0.0128 0.0747 0.0747
Schistosoma mansoni hypothetical protein 0.0106 0.057 0.051
Chlamydia trachomatis protoporphyrinogen oxidase 0.0081 0.0362 0.5
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0479 0.362 0.362
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0229 0.1574 0.155
Brugia malayi diacylglycerol kinase 0.0229 0.1574 0.155
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0308 0.222 0.2197
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0138 0.0831 0.0805
Loa Loa (eye worm) hypothetical protein 0.0155 0.0973 0.0947
Brugia malayi C1-like domain containing protein 0.0388 0.2874 0.2853
Echinococcus multilocularis tyrosine protein kinase Blk 0.004 0.0029 0.0029
Trypanosoma brucei glycosyl hydrolase-like protein 0.0053 0.0137 0.0347
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0308 0.222 0.222
Echinococcus granulosus tyrosine protein kinase Fyn 0.0044 0.0064 0.0064
Toxoplasma gondii ABC1 family protein 0.007 0.0275 0.026
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0261 0.1837 0.1837
Brugia malayi diacylglycerol kinase 0.0229 0.1574 0.155
Loa Loa (eye worm) hypothetical protein 0.0479 0.362 0.3602
Schistosoma mansoni serine/threonine protein kinase 0.0479 0.362 0.3579
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0081 0.0362 0.0515
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0308 0.222 0.222
Loa Loa (eye worm) DnaJ domain-containing protein 0.006 0.0191 0.0163
Loa Loa (eye worm) RGS-3 protein 0.0128 0.0747 0.072
Toxoplasma gondii protein kinase, cAMP-dependent, catalytic chain 0.0479 0.362 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0081 0.0362 1
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0616 0.4736 0.4736
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.7707 0.7707
Loa Loa (eye worm) PXA domain-containing protein 0.0128 0.0747 0.072
Echinococcus granulosus protein kinase c iota type 0.0731 0.5678 0.5678
Echinococcus granulosus serine:threonine protein kinase N2 0.0308 0.222 0.222
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0448 0.3363 1
Trichomonas vaginalis AGC family protein kinase 0.0318 0.2299 0.6206
Brugia malayi Calcitonin receptor-like protein seb-1 0.0155 0.0973 0.0947
Echinococcus granulosus Regulator of G protein signaling 20 0.0128 0.0747 0.0747
Echinococcus multilocularis beta adrenergic receptor kinase 0.0338 0.2469 0.2469
Schistosoma mansoni serine/threonine protein kinase 0.0479 0.362 0.3579
Loa Loa (eye worm) hypothetical protein 0.0616 0.4736 0.4721
Mycobacterium ulcerans beta-lactamase 0.007 0.0275 0.0875
Echinococcus multilocularis dnaJ subfamily C 6 0.006 0.0191 0.0191
Brugia malayi Regulator of G protein signaling domain containing protein 0.0128 0.0747 0.072
Entamoeba histolytica diacylglycerol kinase, putative 0.0229 0.1574 0.2711
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0275 0.0729
Trypanosoma brucei rac serine-threonine kinase, putative 0.0318 0.2299 0.6337
Schistosoma mansoni regulator of G protein signaling 0.0128 0.0747 0.0687
Trypanosoma cruzi hypothetical protein, conserved 0.0143 0.087 0.2377
Brugia malayi regulator of G-protein signaling rgs-7 0.0128 0.0747 0.072
Echinococcus granulosus [G-protein-coupledreceptor] kinase 0.0557 0.4257 0.4257
Entamoeba histolytica hypothetical protein 0.0445 0.3338 0.5943
Brugia malayi protein kinase C3,putative 0.0439 0.3289 0.327
Schistosoma mansoni z-protein (S1r protein) 0.0128 0.0747 0.0687
Echinococcus granulosus GPCR family 2 0.0049 0.0104 0.0104
Brugia malayi Variant SH3 domain containing protein 0.0233 0.161 0.1586
Toxoplasma gondii AGC kinase 0.0308 0.222 0.5922
Schistosoma mansoni protein kinase C mu 0.0388 0.2874 0.2828
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0143 0.087 0.2104
Schistosoma mansoni serine/threonine protein kinase 0.0479 0.362 0.3579
Echinococcus granulosus axis inhibition protein axin 0.0128 0.0747 0.0747
Entamoeba histolytica hypothetical protein 0.0128 0.0747 0.1197
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0143 0.087 0.1991
Echinococcus granulosus tyrosine protein kinase Src42A 0.0039 0.0018 0.0018
Entamoeba histolytica protein kinase, putative 0.0318 0.2299 0.4039
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0233 0.161 0.161
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0128 0.0747 0.0747
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0261 0.1837 0.1837
Schistosoma mansoni serine/threonine protein kinase 0.023 0.1584 0.153
Echinococcus granulosus muscleblind protein 0.0145 0.0886 0.0886
Echinococcus multilocularis muscleblind protein 0.0145 0.0886 0.0886
Loa Loa (eye worm) hypothetical protein 0.007 0.0275 0.0247
Schistosoma mansoni regulator of G protein signaling 0.0128 0.0747 0.0687
Entamoeba histolytica hypothetical protein 0.0128 0.0747 0.1197
Leishmania major glycosyl hydrolase-like protein 0.0053 0.0137 0.0347
Echinococcus multilocularis serine:threonine protein kinase 38 0.0308 0.222 0.222
Trichomonas vaginalis AGC family protein kinase 0.0318 0.2299 0.6206
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0128 0.0747 0.1752
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0138 0.0831 0.0831
Echinococcus multilocularis tyrosine protein kinase Fyn 0.004 0.0029 0.0029
Loa Loa (eye worm) hypothetical protein 0.0229 0.1574 0.155
Trichomonas vaginalis alpha-glucosidase, putative 0.0143 0.087 0.2104
Echinococcus granulosus unc 13 munc13 0.0261 0.1837 0.1837
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.0831 0.0772
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.0104 0.0075
Brugia malayi hypothetical protein 0.0128 0.0747 0.072
Loa Loa (eye worm) raf kinase 0.0229 0.1574 0.155
Echinococcus granulosus lysine specific histone demethylase 1A 0.0319 0.2306 0.2306
Schistosoma mansoni hypothetical protein 0.006 0.0191 0.0128
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0453 0.3405 0.3386
Loa Loa (eye worm) hypothetical protein 0.0049 0.0104 0.0075
Brugia malayi Pleckstrin Homology Domain 0.0239 0.1653 0.1629
Trichomonas vaginalis alpha-glucosidase, putative 0.0143 0.087 0.2104
Echinococcus granulosus tyrosine protein kinase Src64B 0.0044 0.0064 0.0064
Plasmodium vivax hypothetical protein, conserved 0.0081 0.0362 0.0262
Schistosoma mansoni hypothetical protein 0.0049 0.0104 0.004
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0044 0.0064 0.0064
Echinococcus multilocularis lysosomal alpha glucosidase 0.0644 0.4965 0.4965
Brugia malayi beta-lactamase family protein 0.007 0.0275 0.0247
Loa Loa (eye worm) hypothetical protein 0.0261 0.1837 0.1813
Echinococcus multilocularis unc 13 (munc13) 0.0261 0.1837 0.1837
Echinococcus granulosus dnaJ subfamily C 6 0.006 0.0191 0.0191
Brugia malayi Muscleblind-like protein 0.0145 0.0886 0.086
Echinococcus granulosus Rac GTPase activating protein 1 0.0229 0.1574 0.1574
Echinococcus multilocularis N chimaerin 0.0233 0.161 0.161
Leishmania major UDP-galactopyranose mutase 0.0081 0.0362 0.0972
Schistosoma mansoni serine/threonine protein kinase 0.0059 0.0185 0.0122
Entamoeba histolytica protein kinase, putative 0.0318 0.2299 0.4039
Trichomonas vaginalis alpha-glucosidase, putative 0.0143 0.087 0.2104
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0138 0.0831 0.0831
Schistosoma mansoni serine/threonine protein kinase 0.1185 0.9389 0.9385
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0046 0.008 0.0051
Plasmodium falciparum protoporphyrinogen oxidase 0.0081 0.0362 0.0515
Echinococcus multilocularis enhancer of mRNA decapping protein 4 0.0464 0.3492 0.3492
Brugia malayi Glycosyl hydrolases family 31 protein 0.0053 0.0137 0.0108
Echinococcus multilocularis Rac GTPase activating protein 1 0.0229 0.1574 0.1574
Loa Loa (eye worm) hypothetical protein 0.0106 0.0569 0.0542
Trichomonas vaginalis sucrase-isomaltase, putative 0.0143 0.087 0.2104
Echinococcus multilocularis serine threonine protein kinase 0.0956 0.7517 0.7517
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0128 0.0747 0.0687
Loa Loa (eye worm) AGC/NDR protein kinase 0.0308 0.222 0.2197
Schistosoma mansoni serine/threonine protein kinase 0.0245 0.1702 0.1649
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0044 0.0064 0.0064
Onchocerca volvulus 0.007 0.0275 0.0236
Echinococcus granulosus lysine specific histone demethylase 1A 0.0081 0.0362 0.0362
Trichomonas vaginalis penicillin-binding protein, putative 0.007 0.0275 0.0396
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.007 0.0275 0.0247
Trichomonas vaginalis conserved hypothetical protein 0.0128 0.0747 0.1752
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 2 0.0479 0.362 1
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0308 0.222 0.2197
Schistosoma mansoni hypothetical protein 0.0049 0.0104 0.004
Toxoplasma gondii AGC kinase 0.0479 0.362 1
Echinococcus granulosus beta-adrenergic receptor kinase 0.0338 0.2469 0.2469
Echinococcus multilocularis Diacylglycerol kinase theta 0.0229 0.1574 0.1574
Brugia malayi SWIRM domain containing protein 0.0344 0.2512 0.249
Brugia malayi A-kinase anchor protein 10, precursor 0.0128 0.0747 0.072
Schistosoma mansoni hypothetical protein 0.0049 0.0104 0.004
Onchocerca volvulus 0.0261 0.1837 0.2904
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0081 0.0362 0.0262
Echinococcus granulosus cGMP dependent protein kinase 1 0.0059 0.0185 0.0185
Trichomonas vaginalis AGC family protein kinase 0.0308 0.222 0.5979
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0245 0.1702 0.1702
Schistosoma mansoni serine/threonine protein kinase 0.0245 0.1702 0.1649
Echinococcus granulosus tyrosine protein kinase Src42A 0.0044 0.0064 0.0064
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0267 0.1882 0.5204
Mycobacterium ulcerans lipase LipD 0.007 0.0275 0.0875
Schistosoma mansoni axis inhibition protein axin 0.0128 0.0747 0.0687
Schistosoma mansoni serine/threonine protein kinase 0.0059 0.0185 0.0122
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0664 0.5127 0.5113
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.007 0.0275 0.0212

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.082 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 16.3535 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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.
 
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.

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