Detailed information for compound 1638509

Basic information

Technical information
  • TDR Targets ID: 1638509
  • Name: 5-(6-hydroxy-1-benzofuran-2-yl)-2-(3-methylbu t-2-enyl)benzene-1,3-diol
  • MW: 310.344 | Formula: C19H18O4
  • H donors: 3 H acceptors: 3 LogP: 4.85 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=CCc1c(O)cc(cc1O)c1cc2c(o1)cc(cc2)O)C
  • InChi: 1S/C19H18O4/c1-11(2)3-6-15-16(21)7-13(8-17(15)22)18-9-12-4-5-14(20)10-19(12)23-18/h3-5,7-10,20-22H,6H2,1-2H3
  • InChiKey: ZTGHWUWBQNCCOH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(6-hydroxybenzofuran-2-yl)-2-(3-methylbut-2-enyl)benzene-1,3-diol
  • 5-(6-hydroxy-2-benzofuranyl)-2-(3-methylbut-2-enyl)benzene-1,3-diol
  • 5-(6-hydroxybenzofuran-2-yl)-2-(3-methylbut-2-enyl)resorcinol
  • 69120-06-5
  • 1,3-Benzenediol, 5-(6-hydroxy-2-benzofuranyl)-2-(3-methyl-2-butenyl)-
  • 5-(6-Hydroxy-benzofuran-2-yl)-2-(3-methyl-but-2-enyl)-benzene-1,3-diol
  • AIDS-095914
  • AIDS095914
  • Moracin C

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Agaricus bisporus Tyrosinase Starlite/ChEMBL References
Homo sapiens phosphodiesterase 4B, cAMP-specific Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase, isoform F, putative Get druggable targets OG5_128242 All targets in OG5_128242
Neospora caninum cAMP-specific phosphodiesterase, putative Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum IPR002073,3'5'-cyclic nucleotide phosphodiesterase,domain-containing Get druggable targets OG5_128242 All targets in OG5_128242
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_128242 All targets in OG5_128242
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4C, putative Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative Get druggable targets OG5_128242 All targets in OG5_128242
Cryptosporidium parvum membrane associated HD superfamily cyclic nucleotide phosphodiesterase domain containing protein Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
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 phosphatidylinositol 4 kinase alpha 0.0278 0.0556 0.0556
Trichomonas vaginalis PIKK family atypical protein kinase 0.2889 0.6676 0.6676
Trichomonas vaginalis PIKK family atypical protein kinase 0.3203 0.7413 0.7413
Brugia malayi Pre-SET motif family protein 0.0236 0.0458 0.0458
Loa Loa (eye worm) hypothetical protein 0.063 0.138 0.138
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0278 0.0556 0.0556
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.4307 1 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0112 0.0166 0.0166
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0278 0.0556 0.0556
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0278 0.0556 0.0749
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0278 0.0556 0.0556
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0815 0.1814 0.1786
Trichomonas vaginalis conserved hypothetical protein 0.0908 0.2032 0.2032
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0055 0.0034 0.0034
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.063 0.138 0.138
Entamoeba histolytica hypothetical protein 0.0278 0.0556 0.0523
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.4307 1 1
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0908 0.2032 0.2741
Loa Loa (eye worm) ShTK domain-containing protein 0.0111 0.0165 0.0165
Mycobacterium tuberculosis Conserved hypothetical protein 0.0278 0.0556 1
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0111 0.0165 0.0165
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0278 0.0556 0.0556
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0278 0.0556 0.0556
Onchocerca volvulus 0.0278 0.0556 1
Trichomonas vaginalis fk506-binding protein, putative 0.0055 0.0034 0.0034
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0098 0.0134 0.0134
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0278 0.0556 0.0556
Trichomonas vaginalis PIKK family atypical protein kinase 0.3203 0.7413 0.7413
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0278 0.0556 0.0523
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0278 0.0556 0.0556
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0278 0.0556 0.0556
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0278 0.0556 0.0556
Trichomonas vaginalis PIKK family atypical protein kinase 0.3203 0.7413 0.7413
Trichomonas vaginalis PIKK family atypical protein kinase 0.3203 0.7413 0.7413
Echinococcus multilocularis fk506 binding protein 0.0055 0.0034 0.0034
Leishmania major phosphatidylinositol 3-kinase, putative 0.0278 0.0556 0.0556
Leishmania major peptidylprolyl isomerase-like protein 0.0055 0.0034 0.0034
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0112 0.0166 0.0132
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0107 0.0154 0.0154
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0278 0.0556 0.0556
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0098 0.0134 0.0134
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0278 0.0556 0.0556
Schistosoma mansoni hypothetical protein 0.063 0.138 0.138
Schistosoma mansoni fkbp-rapamycin associated protein 0.0815 0.1814 0.1814
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0112 0.0166 0.0166
Mycobacterium leprae conserved hypothetical protein 0.0278 0.0556 1
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0278 0.0556 0.0556
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0278 0.0556 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.2325 0.5356 0.5356
Trichomonas vaginalis PIKK family atypical protein kinase 0.3425 0.7934 0.7934
Schistosoma mansoni voltage-gated potassium channel 0.0125 0.0197 0.0197
Trichomonas vaginalis PIKK family atypical protein kinase 0.2322 0.5347 0.5347
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0278 0.0556 1
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1444 0.329 0.329
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0815 0.1814 0.1814
Entamoeba histolytica hypothetical protein 0.0278 0.0556 0.0523
Loa Loa (eye worm) phosphatidylinositol 3 0.0278 0.0556 0.0556
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0815 0.1814 0.1814
Trichomonas vaginalis PIKK family atypical protein kinase 0.3203 0.7413 0.7413
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0114 0.0172 0.0172
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0278 0.0556 0.0556
Onchocerca volvulus 0.0111 0.0165 0.2963
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0278 0.0556 0.0556
Echinococcus granulosus serine protein kinase ATM 0.0815 0.1814 0.1814
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0278 0.0556 0.0556
Trichomonas vaginalis PIKK family atypical protein kinase 0.2325 0.5356 0.5356
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0055 0.0034 0.0034
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1444 0.329 0.329
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0048 0.0016 0.0016
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0278 0.0556 0.0523
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0815 0.1814 0.1814
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0278 0.0556 0.0556
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0278 0.0556 0.0556
Trichomonas vaginalis PIKK family atypical protein kinase 0.4307 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0278 0.0556 0.0556
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0278 0.0556 0.0749
Trichomonas vaginalis PIKK family atypical protein kinase 0.0815 0.1814 0.1814
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0278 0.0556 0.0556
Schistosoma mansoni tyrosinase precursor 0.0111 0.0165 0.0165
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0278 0.0556 0.0556
Onchocerca volvulus 0.0056 0.0036 0.0645
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.2037 0.4679 0.4679
Loa Loa (eye worm) phosphatidylinositol 3 0.0278 0.0556 0.0556
Trichomonas vaginalis PIKK family atypical protein kinase 0.3425 0.7934 0.7934
Schistosoma mansoni immunophilin 0.0055 0.0034 0.0034
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.4307 1 1
Schistosoma mansoni cellular tumor antigen P53 0.0056 0.0036 0.0036
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0055 0.0034 0.0034
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.4307 1 1
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0278 0.0556 0.0556
Trichomonas vaginalis PIKK family atypical protein kinase 0.1444 0.329 0.329
Onchocerca volvulus 0.0111 0.0165 0.2963
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1444 0.329 0.329
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0055 0.0034 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.2796 0.6458 0.6458
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0278 0.0556 0.0556
Loa Loa (eye worm) ShTK domain-containing protein 0.0111 0.0165 0.0165
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0278 0.0556 1
Trichomonas vaginalis set domain proteins, putative 0.0269 0.0535 0.0535
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0278 0.0556 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0278 0.0556 0.0556
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0055 0.0034 0.0034
Trichomonas vaginalis PIKK family atypical protein kinase 0.1444 0.329 0.329
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1444 0.329 0.329
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0111 0.0165 0.0165
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0278 0.0556 0.0556
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0278 0.0556 0.0556
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0055 0.0034 0.0034
Leishmania major phosphatidylinositol 3-kinase, putative 0.1444 0.329 0.329
Trichomonas vaginalis PIKK family atypical protein kinase 0.3425 0.7934 0.7934
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0278 0.0556 0.0556
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0278 0.0556 0.0556
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.4307 1 1
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0278 0.0556 0.0556
Onchocerca volvulus 0.0269 0.0535 0.9626
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1444 0.329 0.329
Trichomonas vaginalis PIKK family atypical protein kinase 0.2573 0.5937 0.5937
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0055 0.0034 0.0034
Leishmania major hypothetical protein, conserved 0.0278 0.0556 0.0556
Giardia lamblia GTOR 0.4307 1 1
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0111 0.0165 0.0165
Giardia lamblia Phosphatidylinositol 4-kinase 0.0278 0.0556 0.0523
Trypanosoma brucei target of rapamycin kinase 3, putative 0.3429 0.7943 0.7943
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0278 0.0556 0.0523
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0055 0.0034 0.0034
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0055 0.0034 0.0034
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0278 0.0556 0.0523
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0236 0.0458 0.0458
Loa Loa (eye worm) phosphatidylinositol 3 0.0278 0.0556 0.0556
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0278 0.0556 0.0556
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0112 0.0166 0.0166
Loa Loa (eye worm) FKBP5 protein 0.0055 0.0034 0.0034
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0278 0.0556 0.0556
Echinococcus multilocularis serine protein kinase ATM 0.0815 0.1814 0.1814
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0278 0.0556 0.0556
Trichomonas vaginalis PIKK family atypical protein kinase 0.3425 0.7934 0.7934
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0815 0.1814 0.1814
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0278 0.0556 0.0556
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0815 0.1814 0.1814
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0055 0.0034 0.0034
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0055 0.0034 0.0612
Trypanosoma cruzi target of rapamycin kinase 3 0.3429 0.7943 0.7943
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0112 0.0166 0.0166
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0278 0.0556 0.0523
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0278 0.0556 0.0556
Toxoplasma gondii target of rapamycin (TOR), putative 0.3203 0.7413 1
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0048 0.0016 0.0016
Trichomonas vaginalis PIKK family atypical protein kinase 0.4307 1 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0036 0.0036
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0278 0.0556 0.0749
Echinococcus multilocularis Zinc finger, PHD finger 0.0278 0.0556 0.0556
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.0556 0.0556
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0278 0.0556 0.0556
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.4307 1 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0119 0.0183 0.0247
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.3429 0.7943 0.7943
Loa Loa (eye worm) hypothetical protein 0.0111 0.0165 0.0165
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0114 0.0172 0.0172
Trichomonas vaginalis PIKK family atypical protein kinase 0.0815 0.1814 0.1814
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0278 0.0556 0.0556
Trichomonas vaginalis PIKK family atypical protein kinase 0.0537 0.1162 0.1162
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.4307 1 1
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0278 0.0556 0.0556
Loa Loa (eye worm) hypothetical protein 0.0278 0.0556 0.0556
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0278 0.0556 0.0556
Trichomonas vaginalis PIKK family atypical protein kinase 0.1444 0.329 0.329
Entamoeba histolytica protein kinase rad3, putative 0.0815 0.1814 0.1786
Plasmodium vivax hypothetical protein, conserved 0.0278 0.0556 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.2573 0.5937 0.5937
Trichomonas vaginalis PIKK family atypical protein kinase 0.2322 0.5347 0.5347
Schistosoma mansoni tyrosinase precursor 0.0111 0.0165 0.0165
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0278 0.0556 0.0556
Trichomonas vaginalis PIKK family atypical protein kinase 0.4307 1 1
Brugia malayi ShTK domain containing protein 0.0111 0.0165 0.0165
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1444 0.329 0.329
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0278 0.0556 0.0556
Trichomonas vaginalis conserved hypothetical protein 0.0537 0.1162 0.1162
Schistosoma mansoni immunophilin 0.0055 0.0034 0.0034
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.4307 1 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0055 0.0034 0.0034
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0278 0.0556 0.0556
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0278 0.0556 0.0556
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0278 0.0556 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1444 0.329 0.329
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0055 0.0034 0.0034
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.1789 0.4097 0.4097
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0278 0.0556 0.0556
Trichomonas vaginalis immunophilin, putative 0.0055 0.0034 0.0034
Echinococcus granulosus tumor protein p63 0.0384 0.0804 0.0804
Loa Loa (eye worm) phosphatidylinositol 3 0.4307 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0278 0.0556 0.0556
Loa Loa (eye worm) hypothetical protein 0.0048 0.0016 0.0016
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0278 0.0556 0.0523
Toxoplasma gondii FATC domain-containing protein 0.0815 0.1814 0.2447
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0278 0.0556 0.0523
Trichomonas vaginalis PIKK family atypical protein kinase 0.1444 0.329 0.329
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0278 0.0556 0.0556
Schistosoma mansoni voltage-gated potassium channel 0.0125 0.0197 0.0197
Leishmania major fk506-binding protein 1-like protein 0.0055 0.0034 0.0034
Plasmodium vivax hypothetical protein 0.0278 0.0556 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0114 0.0172 0.0172
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0278 0.0556 0.0556
Leishmania major hypothetical protein, unknown function 0.0278 0.0556 0.0556
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0278 0.0556 0.0556
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0278 0.0556 0.0556
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0278 0.0556 1
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.063 0.138 0.138
Trichomonas vaginalis PIKK family atypical protein kinase 0.3425 0.7934 0.7934
Trichomonas vaginalis PIKK family atypical protein kinase 0.2325 0.5356 0.5356
Trichomonas vaginalis PIKK family atypical protein kinase 0.3203 0.7413 0.7413
Echinococcus multilocularis tumor protein p63 0.0384 0.0804 0.0804
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0815 0.1814 0.1814
Echinococcus multilocularis 0.0278 0.0556 0.0556
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0278 0.0556 0.0556
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0278 0.0556 0.0556
Trichomonas vaginalis PIKK family atypical protein kinase 0.3677 0.8524 0.8524
Schistosoma mansoni hypothetical protein 0.0278 0.0556 0.0556
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0278 0.0556 0.0556
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0278 0.0556 0.0523
Loa Loa (eye worm) hypothetical protein 0.0112 0.0166 0.0166
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.4307 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0278 0.0556 0.0556
Loa Loa (eye worm) phosphatidylinositol kinase 0.0278 0.0556 0.0556
Trichomonas vaginalis PIKK family atypical protein kinase 0.1444 0.329 0.329
Loa Loa (eye worm) hypothetical protein 0.0278 0.0556 0.0556
Entamoeba histolytica hypothetical protein 0.0815 0.1814 0.1786
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0055 0.0034 0.0034
Leishmania major phosphatidylinositol 4-kinase, putative 0.0278 0.0556 0.0556
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0278 0.0556 0.0523
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0278 0.0556 0.0556
Loa Loa (eye worm) hypothetical protein 0.0878 0.1962 0.1962
Loa Loa (eye worm) hypothetical protein 0.0099 0.0137 0.0137
Loa Loa (eye worm) hypothetical protein 0.0537 0.1162 0.1162
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0114 0.0172 0.0172
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0055 0.0034 0.0034
Trichomonas vaginalis PIKK family atypical protein kinase 0.1155 0.2613 0.2613
Trichomonas vaginalis PIKK family atypical protein kinase 0.2548 0.5877 0.5877
Trichomonas vaginalis conserved hypothetical protein 0.063 0.138 0.138
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0278 0.0556 0.0556
Schistosoma mansoni immunophilin 0.0048 0.0016 0.0016
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1444 0.329 0.329
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0278 0.0556 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0815 0.1814 0.1814
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.4307 1 1
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0815 0.1814 0.1814
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0111 0.0165 0.0165
Trichomonas vaginalis PIKK family atypical protein kinase 0.0815 0.1814 0.1814
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0098 0.0134 0.0134
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1444 0.329 0.329
Loa Loa (eye worm) hypothetical protein 0.0111 0.0165 0.0165
Loa Loa (eye worm) phosphatidylinositol 3 0.1444 0.329 0.329
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0055 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.0908 0.2032 0.2032
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0055 0.0034 0.5
Brugia malayi Common central domain of tyrosinase family protein 0.0111 0.0165 0.0165
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0107 0.0154 0.0154
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0278 0.0556 0.0556
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0261 0.0517 0.9298
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0278 0.0556 0.0556
Entamoeba histolytica hypothetical protein 0.0278 0.0556 0.0523
Trichomonas vaginalis PIKK family atypical protein kinase 0.2573 0.5937 0.5937
Brugia malayi FAT domain containing protein 0.063 0.138 0.138
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0537 0.1162 0.1162
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0278 0.0556 0.0556
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0278 0.0556 0.0556
Trichomonas vaginalis PIKK family atypical protein kinase 0.2322 0.5347 0.5347
Onchocerca volvulus 0.0111 0.0165 0.2963
Giardia lamblia Hypothetical protein 0.0278 0.0556 0.0523
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0278 0.0556 0.0523
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.0556 0.0556
Trichomonas vaginalis PIKK family atypical protein kinase 0.2548 0.5877 0.5877
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0112 0.0166 0.0166
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0278 0.0556 0.0749
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.4307 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.3203 0.7413 0.7413
Leishmania major phosphatidylinositol kinase, putative 0.0278 0.0556 0.0556
Loa Loa (eye worm) tyrosinase 1 0.0111 0.0165 0.0165
Loa Loa (eye worm) hypothetical protein 0.0815 0.1814 0.1814
Trichomonas vaginalis PIKK family atypical protein kinase 0.2325 0.5356 0.5356
Onchocerca volvulus 0.0278 0.0556 1
Entamoeba histolytica hypothetical protein 0.0278 0.0556 0.0523
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0098 0.0134 0.0134
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0278 0.0556 0.0556
Onchocerca volvulus 0.0111 0.0165 0.2963
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0278 0.0556 0.0749
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0055 0.0034 0.0034
Leishmania major phosphatidylinositol kinase related protein, putative 0.0278 0.0556 0.0556

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.27 uM Inhibition of mushroom tyrosinase ChEMBL. 25461329
IC50 (ADMET) = 3.2 uM Cytotoxicity against human THP1 cells after 24 hrs by WST1 assay ChEMBL. 24901948
IC50 (functional) = 8 uM Antiinflammatory activity against mouse RAW264.7 cells assessed as reduction of IFNgamma-induced NO production ChEMBL. 25461329
IC50 (binding) = 18.1 uM Inhibition of human PDE4B2 catalytic domain and UCR2 (92 to 521) expressed in Escherichia coli BL21 using [3H]-cAMP/[3H]-cGMP after 15 mins by liquid scintillation counting ChEMBL. 22483586
IC50 (binding) = 26 uM Inhibition of human PDE4D2 catalytic domain (86 to 413) expressed in Escherichia coli BL21 using [3H]-cAMP/[3H]-cGMP after 15 mins by liquid scintillation counting ChEMBL. 22483586
IC50 (binding) = 32 uM Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins followed by substrate addition measured after 15 mins ChEMBL. 25935644
IC50 (binding) > 50 uM Inhibition of human PDE5A1 catalytic domain (535 to 860) expressed in Escherichia coli BL21 using [3H]-cAMP/[3H]-cGMP after 15 mins by liquid scintillation counting ChEMBL. 22483586
IC50 (binding) = 83.8 uM Inhibition of Staphylococcus aureus FabI-mediated trans-2-octenoyl N-acetylcysteamine (t-o-NAC thioester) substrate reduction assessed as decrease in NADPH by ELISA ChEMBL. 25461329
IC50 (binding) > 100 uM Inhibition of human PDE9A2 catalytic domain (181 to 506) expressed in Escherichia coli BL21 using [3H]-cAMP/[3H]-cGMP after 15 mins by liquid scintillation counting ChEMBL. 22483586
Inhibition (binding) = 8.2 % Inhibition of cytosolic GPDH activity in mouse 3T3 cells ChEMBL. 25461329
Inhibition (functional) = 13.8 % Inhibition of TG content in mouse 3T3 cells ChEMBL. 25461329
Inhibition (binding) = 64.8 % Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol at 100 uM preincubated for 15 mins followed by substrate addition measured after 15 mins relative to control ChEMBL. 25935644
MIC (functional) = 68 ug ml-1 Antimicrobial activity against Candida albicans by liquid microdilution assay ChEMBL. 25461329
MIC (functional) > 100 ug ml-1 Antimicrobial activity against Escherichia coli ChEMBL. 25461329

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 25461329
Homo sapiens ChEMBL23 24901948

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

Annotated phenotypes:

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

Bibliographic References

2 literature references were collected for this gene.

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