Detailed information for compound 74492

Basic information

Technical information
  • TDR Targets ID: 74492
  • Name: 3-(3,4,5-trimethoxyphenyl)propyl 1-(3,3-dimet hyl-2-oxopentanoyl)piperidine-2-carboxylate
  • MW: 463.564 | Formula: C25H37NO7
  • H donors: 0 H acceptors: 3 LogP: 4.39 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(C(=O)C(=O)N1CCCCC1C(=O)OCCCc1cc(OC)c(c(c1)OC)OC)(C)C
  • InChi: 1S/C25H37NO7/c1-7-25(2,3)22(27)23(28)26-13-9-8-12-18(26)24(29)33-14-10-11-17-15-19(30-4)21(32-6)20(16-17)31-5/h15-16,18H,7-14H2,1-6H3
  • InChiKey: OHKQPFRKBBIWTC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(3,4,5-trimethoxyphenyl)propyl 1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carboxylate
  • 1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarboxylic acid 3-(3,4,5-trimethoxyphenyl)propyl ester
  • 1-(2-keto-3,3-dimethyl-pentanoyl)pipecolin 3-(3,4,5-trimethoxyphenyl)propyl ester
  • 1-(2-keto-3,3-dimethyl-pentanoyl)pipecolinic acid 3-(3,4,5-trimethoxyphenyl)propyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens FK506 binding protein 1A, 12kDa Starlite/ChEMBL References
Gallus gallus FK506 binding protein 12 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Leishmania braziliensis fk506-binding protein 1-like protein Get druggable targets OG5_126727 All targets in OG5_126727
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 Get druggable targets OG5_126727 All targets in OG5_126727
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Leishmania braziliensis peptidylprolyl isomerase-like protein Get druggable targets OG5_126727 All targets in OG5_126727
Loa Loa (eye worm) FKBP5 protein Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma brucei gambiense peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Theileria parva peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Leishmania major peptidylprolyl isomerase-like protein Get druggable targets OG5_126727 All targets in OG5_126727
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative Get druggable targets OG5_126727 All targets in OG5_126727
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 Get druggable targets OG5_126727 All targets in OG5_126727
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) Get druggable targets OG5_126727 All targets in OG5_126727
Leishmania infantum fk506-binding protein 1-like protein Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma congolense FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 Get druggable targets OG5_126727 All targets in OG5_126727
Neospora caninum Peptidylprolyl isomerase D (Cyclophilin D), related Get druggable targets OG5_126727 All targets in OG5_126727
Schistosoma japonicum ko:K09571 FK506-binding protein 4/5, putative Get druggable targets OG5_126727 All targets in OG5_126727
Schistosoma mansoni immunophilin Get druggable targets OG5_126727 All targets in OG5_126727
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 Get druggable targets OG5_126727 All targets in OG5_126727
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 Get druggable targets OG5_126727 All targets in OG5_126727
Schistosoma japonicum ko:K09568 FK506-binding protein 1, putative Get druggable targets OG5_126727 All targets in OG5_126727
Schistosoma japonicum FK506-binding protein 1A, putative Get druggable targets OG5_126727 All targets in OG5_126727
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126727 All targets in OG5_126727
Leishmania donovani fk506-binding protein 1-like protein Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma brucei gambiense peptidylprolyl isomerase-like protein, putative Get druggable targets OG5_126727 All targets in OG5_126727
Plasmodium knowlesi peptidyl-prolyl cis-trans isomerase FKBP35, putative Get druggable targets OG5_126727 All targets in OG5_126727
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A Get druggable targets OG5_126727 All targets in OG5_126727
Echinococcus multilocularis fk506 binding protein Get druggable targets OG5_126727 All targets in OG5_126727
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 Get druggable targets OG5_126727 All targets in OG5_126727
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_126727 All targets in OG5_126727
Trichomonas vaginalis peptidylprolyl isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Candida albicans one of two identical potential FKBP-type peptidyl-prolyl cis-trans isomerase genes Get druggable targets OG5_126727 All targets in OG5_126727
Plasmodium yoelii FK506-binding protein Get druggable targets OG5_126727 All targets in OG5_126727
Candida albicans one of two identical potential FKBP-type peptidyl-prolyl cis-trans isomerase genes Get druggable targets OG5_126727 All targets in OG5_126727
Leishmania infantum peptidylprolyl isomerase-like protein Get druggable targets OG5_126727 All targets in OG5_126727
Candida albicans one of two identical potential FKBP-type peptidyl-prolyl cis-trans isomerase genes Get druggable targets OG5_126727 All targets in OG5_126727
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 Get druggable targets OG5_126727 All targets in OG5_126727
Trichomonas vaginalis immunophilin, putative Get druggable targets OG5_126727 All targets in OG5_126727
Trichomonas vaginalis fk506-binding protein, putative Get druggable targets OG5_126727 All targets in OG5_126727
Leishmania major fk506-binding protein 1-like protein Get druggable targets OG5_126727 All targets in OG5_126727
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Trichomonas vaginalis peptidylprolyl isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Schistosoma mansoni immunophilin Get druggable targets OG5_126727 All targets in OG5_126727
Leishmania mexicana peptidylprolyl isomerase-like protein Get druggable targets OG5_126727 All targets in OG5_126727
Candida albicans one of two identical potential FKBP-type peptidyl-prolyl cis-trans isomerase genes Get druggable targets OG5_126727 All targets in OG5_126727
Leishmania mexicana fk506-binding protein 1-like protein Get druggable targets OG5_126727 All targets in OG5_126727
Schistosoma mansoni immunophilin Get druggable targets OG5_126727 All targets in OG5_126727
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Candida albicans hypothetical protein Get druggable targets OG5_126727 All targets in OG5_126727
Plasmodium berghei peptidyl-prolyl cis-trans isomerase FKBP35, putative Get druggable targets OG5_126727 All targets in OG5_126727
Leishmania donovani peptidylprolyl isomerase-like protein Get druggable targets OG5_126727 All targets in OG5_126727
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 Get druggable targets OG5_126727 All targets in OG5_126727
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium ulcerans hypothetical protein FK506 binding protein 12   108 aa 105 aa 22.9 %
Cryptosporidium parvum fkbp FK506 binding protein 12   108 aa 87 aa 39.1 %
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 FK506 binding protein 12   108 aa 110 aa 40.9 %
Leishmania major peptidyl-prolyl cis-trans isomerase, putative FK506 binding protein 12   108 aa 110 aa 48.2 %
Leishmania infantum peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative FK506 binding protein 12   108 aa 99 aa 24.2 %
Candida albicans FKBP-type peptidylprolyl cis/trans isomerase similar to S. cerevisiae FPR3 (YML074C) nucleolar proline rotamase FK506 binding protein 12   108 aa 107 aa 43.0 %
Echinococcus multilocularis FK506 binding protein 12   108 aa 100 aa 31.0 %
Onchocerca volvulus FK506 binding protein 12   108 aa 104 aa 46.2 %
Trypanosoma brucei macrophage infectivity potentiator, precursor, putative FK506 binding protein 12   108 aa 107 aa 43.0 %
Trichomonas vaginalis conserved hypothetical protein FK506 binding protein 12   108 aa 98 aa 29.6 %
Schistosoma japonicum ko:K09574 FK506-binding protein 8, putative FK506 binding protein 12   108 aa 107 aa 29.0 %
Onchocerca volvulus FK506 binding protein 12   108 aa 87 aa 25.3 %
Babesia bovis peptidylprolyl isomerase, putative FK506 binding protein 12   108 aa 89 aa 46.1 %
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein FK506 binding protein 12   108 aa 103 aa 39.8 %
Dictyostelium discoideum hypothetical protein FK506 binding protein 12   108 aa 98 aa 38.8 %
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase FK506 binding protein 12   108 aa 104 aa 34.6 %
Dictyostelium discoideum FKBP-type peptidylprolyl cis-trans isomerase domain-containing protein FK506 binding protein 12   108 aa 110 aa 46.4 %
Leishmania infantum peptidyl-prolyl cis-trans isomerase, putative FK506 binding protein 12   108 aa 110 aa 50.0 %
Candida albicans FKBP-type peptidylprolyl cis/trans isomerase similar to S. cerevisiae FPR3 (YML074C) nucleolar proline rotamase FK506 binding protein 12   108 aa 107 aa 43.0 %
Onchocerca volvulus Putative selenide, water dikinase FK506 binding protein 12   108 aa 91 aa 47.3 %
Leishmania braziliensis peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative FK506 binding protein 12   108 aa 97 aa 24.7 %
Neospora caninum FK506-binding protein 1, putative FK506 binding protein 12   108 aa 109 aa 37.6 %
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13 FK506 binding protein 12   108 aa 91 aa 49.5 %
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase FK506 binding protein 12   108 aa 101 aa 40.6 %
Trichomonas vaginalis soluble guanylate cyclase gcy, putative FK506 binding protein 12   108 aa 87 aa 21.8 %
Neospora caninum hypothetical protein FK506 binding protein 12   108 aa 89 aa 40.4 %
Trypanosoma congolense peptidyl-prolyl cis-trans isomerase, putative FK506 binding protein 12   108 aa 94 aa 41.5 %
Cryptosporidium hominis peptidyl-prolyl isomerase/macrophage infectivity potentiator FK506 binding protein 12   108 aa 104 aa 30.8 %
Trichomonas vaginalis fk506 binding protein, putative FK506 binding protein 12   108 aa 91 aa 39.6 %
Leishmania major FKBP-type peptidyl-prolyl cis-trans isomerase, putative FK506 binding protein 12   108 aa 91 aa 45.1 %
Leishmania braziliensis FKBP-type peptidyl-prolyl cis-trans isomerase, putative FK506 binding protein 12   108 aa 91 aa 46.2 %
Cryptosporidium hominis immunophilin/FKBP-type peptidyl-prolyl cis-trans isomerase FK506 binding protein 12   108 aa 87 aa 39.1 %
Leishmania infantum FKBP-type peptidyl-prolyl cis-trans isomerase, putative FK506 binding protein 12   108 aa 91 aa 45.1 %
Dictyostelium discoideum FKBP-type peptidylprolyl cis-trans isomerase FK506 binding protein 12   108 aa 88 aa 51.1 %
Leishmania donovani peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative FK506 binding protein 12   108 aa 99 aa 25.3 %
Neospora caninum FKBP-type peptidyl-prolyl cis-trans isomerase FklB, related FK506 binding protein 12   108 aa 110 aa 26.4 %
Trypanosoma congolense FKBP-type peptidylprolyl cis-trans isomerase, putative FK506 binding protein 12   108 aa 88 aa 28.4 %
Trypanosoma brucei gambiense FKBP-type peptidyl-prolyl cis-trans isomerase, putative,FKBP-type peptidylprolyl cis-trans isomerase, putative FK506 binding protein 12   108 aa 107 aa 43.0 %
Trypanosoma cruzi macrophage infectivity potentiator, precursor, putative FK506 binding protein 12   108 aa 107 aa 43.9 %
Trypanosoma congolense macrophage infectivity potentiator, precursor, putative FK506 binding protein 12   108 aa 107 aa 40.2 %
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase FK506 binding protein 12   108 aa 105 aa 37.1 %
Leishmania major peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative FK506 binding protein 12   108 aa 105 aa 24.8 %
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative FK506 binding protein 12   108 aa 88 aa 34.1 %
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 FK506 binding protein 12   108 aa 91 aa 47.3 %
Leishmania braziliensis peptidyl-prolyl cis-trans isomerase, putative FK506 binding protein 12   108 aa 110 aa 50.9 %
Leishmania mexicana peptidyl-prolyl cis-trans isomerase, putative FK506 binding protein 12   108 aa 110 aa 50.0 %
Leishmania mexicana FKBP-type peptidyl-prolyl cis-trans isomerase, putative FK506 binding protein 12   108 aa 91 aa 47.3 %
Dictyostelium discoideum FKBP-type peptidylprolyl cis-trans isomerase FK506 binding protein 12   108 aa 90 aa 32.2 %
Cryptosporidium parvum macrophage infectivity potentiator (MIP);FKBP peptidyl-prolyl cis-trans isomerase-like fold, signal peptide + ER retention motif FK506 binding protein 12   108 aa 104 aa 30.8 %
Leishmania donovani peptidyl-prolyl cis-trans isomerase, putative FK506 binding protein 12   108 aa 110 aa 50.0 %
Onchocerca volvulus FK506 binding protein 12   108 aa 110 aa 38.2 %
Trypanosoma brucei macrophage infectivity potentiator, precursor, putative FK506 binding protein 1A, 12kDa 108 aa 107 aa 48.6 %
Dictyostelium discoideum FKBP-like protein FK506 binding protein 12   108 aa 96 aa 30.2 %
Toxoplasma gondii peptidyl-prolyl isomerase FKBP12, putative FK506 binding protein 12   108 aa 109 aa 37.6 %
Schistosoma mansoni fk506 binding protein FK506 binding protein 12   108 aa 96 aa 26.0 %
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative FK506 binding protein 12   108 aa 110 aa 45.5 %
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative FK506 binding protein 12   108 aa 110 aa 45.5 %
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase FK506 binding protein 12   108 aa 97 aa 41.2 %
Leishmania mexicana peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative FK506 binding protein 12   108 aa 99 aa 24.2 %
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein FK506 binding protein 12   108 aa 110 aa 28.2 %
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30 FK506 binding protein 12   108 aa 110 aa 39.1 %
Leishmania donovani FKBP-type peptidyl-prolyl cis-trans isomerase, putative FK506 binding protein 12   108 aa 91 aa 45.1 %
Onchocerca volvulus FK506 binding protein 12   108 aa 104 aa 47.1 %
Echinococcus granulosus FK506 binding protein 2 FK506 binding protein 12   108 aa 100 aa 32.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 28 0.0049 0.0263 0.0656
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 21 0.0049 0.0263 0.0656
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0022 0.003 0.1131
Brugia malayi sodium-independent organic anion transporter family protein 0.0032 0.0117 0.0292
Giardia lamblia Hypothetical protein 0.0049 0.0263 0.2747
Brugia malayi Twik (KCNK-like) family of potasium channels, alpha subunit 40 0.0049 0.0263 0.0656
Echinococcus multilocularis expressed protein 0.0022 0.003 0.003
Echinococcus multilocularis lysine specific demethylase 5A 0.0058 0.0336 0.0336
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.013 0.0956 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0336 0.0336
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.013 0.0956 1
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0378 0.3955
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 17 0.0049 0.0263 0.0656
Schistosoma mansoni twik family of potassium channels-related 0.0049 0.0263 0.0263
Onchocerca volvulus 0.0022 0.003 0.0055
Loa Loa (eye worm) hypothetical protein 0.0032 0.0117 0.0117
Toxoplasma gondii protease inhibitor PI2 0.0022 0.003 0.1131
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0022 0.003 0.1131
Onchocerca volvulus 0.0032 0.0117 0.0273
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0049 0.0263 0.2747
Brugia malayi hypothetical protein 0.0049 0.0263 0.0656
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0506 0.4168 0.4168
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.013 0.0956 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0049 0.0263 0.2747
Schistosoma mansoni calcium-activated potassium channel 0.0049 0.0263 0.0263
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 39A 0.0049 0.0263 0.0656
Echinococcus multilocularis potassium channel subfamily K 0.0049 0.0263 0.0263
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 5 0.0049 0.0263 0.0656
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0057 0.0332 0.3468
Brugia malayi sodium-independent organic anion transporter family protein 0.0032 0.0117 0.0292
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.013 0.0956 1
Echinococcus granulosus organic anion transporting polypeptide 30B 0.0032 0.0117 0.0117
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0049 0.0263 0.2747
Schistosoma mansoni twik family of potassium channels-related 0.0049 0.0263 0.0263
Loa Loa (eye worm) TWK-28 protein 0.0049 0.0263 0.0263
Leishmania major ion transport protein-like protein 0.0049 0.0263 0.2747
Mycobacterium tuberculosis Possible transmembrane cation transporter 0.0049 0.0263 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.013 0.0956 1
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.013 0.0956 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Echinococcus granulosus lysine specific demethylase 5A 0.0058 0.0336 0.0336
Leishmania major hypothetical protein, conserved 0.0049 0.0263 0.2747
Plasmodium falciparum potassium channel 0.0049 0.0263 0.2747
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0112 0.0803 0.0803
Toxoplasma gondii ion channel protein 0.0049 0.0263 1
Onchocerca volvulus Putative organic anion transporter 0.0032 0.0117 0.0273
Loa Loa (eye worm) hypothetical protein 0.1188 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0117 0.0117
Schistosoma mansoni immunophilin 0.0112 0.0803 0.0803
Echinococcus granulosus twik family of potassium channels 0.0049 0.0263 0.0263
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.013 0.0956 1
Loa Loa (eye worm) agrin synaptic family protein 0.0022 0.003 0.003
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 0.0049 0.0263 0.0263
Echinococcus multilocularis Two pore potassium channel protein sup 9 0.0049 0.0263 0.0263
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0008 0.0008
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0022 0.003 0.0074
Schistosoma mansoni twik family of potassium channels-related 0.0049 0.0263 0.0263
Echinococcus granulosus agrin 0.0022 0.003 0.003
Loa Loa (eye worm) TWK-7 protein 0.0049 0.0263 0.0263
Schistosoma mansoni twik family of potassium channels-related 0.0049 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0022 0.003 0.003
Toxoplasma gondii transporter, major facilitator family protein 0.0032 0.0117 0.4452
Onchocerca volvulus Putative organic anion transporter 0.0032 0.0117 0.0273
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Echinococcus granulosus twik family of potassium channels 0.0049 0.0263 0.0263
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0008 0.0008
Onchocerca volvulus 0.0049 0.0263 0.0638
Brugia malayi hypothetical protein 0.0019 0.0008 0.0019
Echinococcus granulosus follistatin 0.0022 0.003 0.003
Plasmodium falciparum potassium channel 0.0049 0.0263 0.2747
Schistosoma mansoni lipoxygenase 0.0019 0.0008 0.0008
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.0008 0.0008
Echinococcus multilocularis fk506 binding protein 0.013 0.0956 0.0956
Echinococcus granulosus microtubule associated protein 2 0.0678 0.5642 0.5642
Echinococcus multilocularis organic anion transporting polypeptide 30B 0.0032 0.0117 0.0117
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0049 0.0263 0.2747
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.013 0.0956 0.0956
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Echinococcus multilocularis Solute carrier organic anion transporter family 0.0032 0.0117 0.0117
Schistosoma mansoni twik family of potassium channels-related 0.0049 0.0263 0.0263
Onchocerca volvulus 0.0032 0.0117 0.0273
Mycobacterium ulcerans transmembrane cation transporter 0.0049 0.0263 0.2747
Echinococcus granulosus RUN 0.0019 0.0008 0.0008
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0112 0.0803 0.0803
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0008 0.0008
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.013 0.0956 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0117 0.0117
Loa Loa (eye worm) hypothetical protein 0.0019 0.0008 0.0008
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.013 0.0956 1
Schistosoma mansoni hypothetical protein 0.0049 0.0263 0.0263
Schistosoma mansoni calcium-activated potassium channel 0.1188 1 1
Brugia malayi Doublecortin family protein 0.0019 0.0008 0.0019
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0008 0.0008
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0378 0.3955
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Echinococcus multilocularis TWiK family of potassium channels protein 7 0.0049 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Onchocerca volvulus 0.0049 0.0263 0.0638
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Brugia malayi sodium-independent organic anion transporter family protein 0.0032 0.0117 0.0292
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0378 0.3955
Schistosoma mansoni immunophilin 0.013 0.0956 0.0956
Onchocerca volvulus Putative organic anion transporter 0.0487 0.4007 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.013 0.0956 0.0956
Leishmania major hypothetical protein, conserved 0.0049 0.0263 0.2747
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0049 0.0263 0.2747
Leishmania major cathepsin L-like protease 0.0063 0.0378 0.3955
Brugia malayi SPARC precursor 0.0022 0.003 0.0074
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0058 0.0336 0.0336
Brugia malayi hypothetical protein 0.0019 0.0008 0.0019
Schistosoma mansoni jumonji domain containing protein 0.0058 0.0336 0.0336
Leishmania major potassium channel subunit-like protein 0.0049 0.0263 0.2747
Echinococcus granulosus potassium channel subfamily K 8 0.0049 0.0263 0.0263
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0378 0.3955
Schistosoma mansoni hypothetical protein 0.1188 1 1
Schistosoma mansoni microtubule-associated protein tau 0.0678 0.5642 0.5642
Brugia malayi hypothetical protein 0.0032 0.0117 0.0292
Loa Loa (eye worm) uncoordinated protein 58 0.0049 0.0263 0.0263
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 39B 0.0049 0.0263 0.0656
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 32 0.0049 0.0263 0.0656
Onchocerca volvulus 0.0032 0.0117 0.0273
Loa Loa (eye worm) hypothetical protein 0.0179 0.137 0.137
Schistosoma mansoni organic anion transporter 0.0032 0.0117 0.0117
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Entamoeba histolytica calcium-gated potassium channel protein, putative 0.0049 0.0263 0.2747
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.013 0.0956 1
Schistosoma mansoni loxhd1 0.0019 0.0008 0.0008
Trypanosoma brucei calcium-activated potassium channel, putative 0.0049 0.0263 0.2747
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0378 0.3955
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0378 0.3955
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.013 0.0956 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Onchocerca volvulus 0.0049 0.0263 0.0638
Loa Loa (eye worm) kazal-type serine protease inhibitor domain-containing protein 0.0022 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0112 0.0803 0.0803
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Onchocerca volvulus 0.0049 0.0263 0.0638
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 12 0.0049 0.0263 0.0656
Leishmania major cathepsin L-like protease 0.0063 0.0378 0.3955
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0054 0.0306 0.0306
Trypanosoma cruzi calcium-activated potassium channel, putative 0.0049 0.0263 0.2747
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.013 0.0956 0.0956
Loa Loa (eye worm) cytochrome P450 family protein 0.0044 0.0222 0.0222
Brugia malayi secreted modular calcium-binding protein 1 0.0022 0.003 0.0074
Loa Loa (eye worm) FKBP5 protein 0.013 0.0956 0.0956
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0 0.5
Schistosoma mansoni rab6-interacting 0.0019 0.0008 0.0008
Brugia malayi jmjC domain containing protein 0.0058 0.0336 0.0839
Loa Loa (eye worm) doublecortin family protein 0.0019 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0022 0.003 0.003
Trichomonas vaginalis fk506-binding protein, putative 0.013 0.0956 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 30. 0.0049 0.0263 0.0656
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Trypanosoma cruzi cruzipain precursor, putative 0.0063 0.0378 0.3955
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 35 0.0049 0.0263 0.0656
Schistosoma mansoni hypothetical protein 0.0019 0.0008 0.0008
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0378 0.3955
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0378 0.3955
Leishmania major fk506-binding protein 1-like protein 0.013 0.0956 1
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0022 0.003 0.0074
Schistosoma mansoni immunophilin 0.013 0.0956 0.0956
Loa Loa (eye worm) large conductance calcium-activated potassium channel alpha subunit ai 0.0049 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Echinococcus multilocularis agrin 0.0022 0.003 0.003
Loa Loa (eye worm) sodium-independent organic anion transporter 0.0032 0.0117 0.0117
Echinococcus granulosus potassium channel subfamily K 0.0049 0.0263 0.0263
Onchocerca volvulus 0.0032 0.0117 0.0273
Brugia malayi jmjC domain containing protein 0.0058 0.0336 0.0839
Loa Loa (eye worm) hypothetical protein 0.0019 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0032 0.0117 0.0117
Trypanosoma cruzi ion transport protein, putative 0.0049 0.0263 0.2747
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Echinococcus multilocularis potassium channel subfamily K 8 0.0049 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0487 0.4007 0.4007
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Echinococcus multilocularis small conductance calcium activated potassium 0.1188 1 1
Trypanosoma cruzi MFS transporter, putative 0.0032 0.0117 0.1223
Loa Loa (eye worm) hypothetical protein 0.0032 0.0117 0.0117
Echinococcus multilocularis microtubule associated protein 2 0.0678 0.5642 0.5642
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.013 0.0956 1
Toxoplasma gondii ion channel protein 0.0049 0.0263 1
Plasmodium vivax multidomain scavenger receptor, putative 0.0019 0.0008 0.008
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0378 0.3955
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.013 0.0956 0.0956
Onchocerca volvulus 0.0049 0.0263 0.0638
Schistosoma mansoni agrin 0.0022 0.003 0.003
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0378 0.3955
Leishmania major calcium/potassium channel (CAKC), putative 0.0049 0.0263 0.2747
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 13 0.0049 0.0263 0.0656
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.013 0.0956 0.2386
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0378 0.3955
Echinococcus multilocularis potassium channel subfamily K 8 0.0049 0.0263 0.0263
Echinococcus multilocularis calcium activated potassium channel variant 0.0049 0.0263 0.0263
Echinococcus multilocularis RUN 0.0019 0.0008 0.0008
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.013 0.0956 1
Echinococcus granulosus potassium channel subfamily K 8 0.0049 0.0263 0.0263
Trypanosoma cruzi ion transport protein, putative 0.0049 0.0263 0.2747
Trypanosoma cruzi hypothetical protein, conserved 0.0049 0.0263 0.2747
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0022 0.003 0.0074
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.013 0.0956 1
Schistosoma mansoni organic anion transporter 0.0032 0.0117 0.0117
Plasmodium vivax potassium channel, putative 0.0049 0.0263 0.2747
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0049 0.0263 0.2747
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.013 0.0956 0.2386
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0054 0.0306 0.0306
Schistosoma mansoni calcium-activated potassium channel 0.096 0.8051 0.8051
Loa Loa (eye worm) hypothetical protein 0.0022 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Plasmodium falciparum LCCL domain-containing protein 0.0019 0.0008 0.008
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 45 0.0049 0.0263 0.0656
Echinococcus granulosus TWiK family of potassium channels protein 7 0.0049 0.0263 0.0263
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0022 0.003 0.1131
Brugia malayi Cytochrome P450 family protein 0.0044 0.0222 0.0554
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0454 0.3725 0.3725
Brugia malayi hypothetical protein 0.0049 0.0263 0.0656
Onchocerca volvulus 0.0049 0.0263 0.0638
Leishmania major cathepsin L-like protease 0.0063 0.0378 0.3955
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0378 0.3955
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Trypanosoma cruzi hypothetical protein, conserved 0.0049 0.0263 0.2747
Echinococcus multilocularis twik family of potassium channels 0.0049 0.0263 0.0263
Schistosoma mansoni twik family of potassium channels-related 0.0049 0.0263 0.0263
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.013 0.0956 1
Trypanosoma cruzi calcium-activated potassium channel, putative 0.0049 0.0263 0.2747
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 7 0.0049 0.0263 0.0656
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog 0.0049 0.0263 0.0656
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.0008 0.0008
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.013 0.0956 0.0956
Brugia malayi prostaglandin transporter 0.0487 0.4007 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0378 0.3955
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Schistosoma mansoni rab6-interacting 0.0019 0.0008 0.0008
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0058 0.0336 0.0336
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.0336 0.0336
Leishmania major peptidylprolyl isomerase-like protein 0.013 0.0956 1
Onchocerca volvulus 0.0049 0.0263 0.0638
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.0336 0.0336
Loa Loa (eye worm) hypothetical protein 0.0032 0.0117 0.0117
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Echinococcus granulosus calcium activated potassium channel variant 0.0049 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Trichomonas vaginalis immunophilin, putative 0.013 0.0956 1
Echinococcus multilocularis twik family of potassium channels 0.0049 0.0263 0.0263
Onchocerca volvulus 0.0049 0.0263 0.0638
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.013 0.0956 1
Brugia malayi hypothetical protein 0.0032 0.0117 0.0292
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Schistosoma mansoni twik family of potassium channels-related 0.0049 0.0263 0.0263
Mycobacterium ulcerans ion transport protein 0.0049 0.0263 0.2747
Loa Loa (eye worm) hypothetical protein 0.0022 0.003 0.003
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0378 0.3955
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0022 0.003 0.1131
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0049 0.0263 0.2747
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 24 0.0049 0.0263 0.0656
Schistosoma mansoni calcium-activated potassium channel 0.0049 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Trypanosoma cruzi major cysteine proteinase, putative 0.0049 0.0263 0.2755
Echinococcus granulosus Solute carrier organic anion transporter family 0.0032 0.0117 0.0117
Onchocerca volvulus 0.0032 0.0117 0.0273
Loa Loa (eye worm) hypothetical protein 0.0049 0.0263 0.0263
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0022 0.003 0.0074
Loa Loa (eye worm) S-phase kinase-associated protein 1A 0.0049 0.0263 0.0263
Schistosoma mansoni follistatin 0.0022 0.003 0.003
Schistosoma mansoni lipoxygenase 0.0054 0.0306 0.0306
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog 0.0049 0.0263 0.0656
Echinococcus granulosus Two pore potassium channel protein sup 9 0.0049 0.0263 0.0263
Plasmodium vivax potassium channel, putative 0.0049 0.0263 0.2747
Echinococcus multilocularis follistatin 0.0022 0.003 0.003
Schistosoma mansoni polycystin 1-related 0.0019 0.0008 0.0008
Schistosoma mansoni twik family of potassium channels-related 0.0049 0.0263 0.0263
Trypanosoma brucei calcium/potassium channel (CAKC), putative 0.0049 0.0263 0.2747

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) NI 0 Tested for its ability to inhibit calcineurin phosphatase activity in standard in vitro assay; NI means no inhibition at >10 uM ChEMBL. No reference
Activity (functional) NI 0 Tested for its ability to block T-cell proliferation in standard in vitro assay; NI means no inhibition at >10 uM ChEMBL. No reference
ED50 (functional) = 80 nM In Vitro neurotrophic effect was measured in cultured chick DRG sensory neurons. ChEMBL. 9857082
ED50 (functional) = 80 nM Ability of the compound to promote neurite outgrowth against freshly isolated sensory neuronal cultures ChEMBL. No reference
Ki (binding) = 25 nM Compound was tested for its ability to inhibit FK506 binding protein 12 rotamase activity ChEMBL. 9857082
Ki (binding) = 25 nM Inhibition of binding to FKBP12 receptor ChEMBL. No reference
Ki (binding) = 25 nM Compound was tested for its ability to inhibit FK506 binding protein 12 rotamase activity ChEMBL. 9857082
Ki (binding) = 25 nM Inhibition of binding to FKBP12 receptor ChEMBL. No reference
Ki app (binding) = 0.012 uM Inhibition constant against peptidyl prolyl isomerase 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

1 literature reference was collected for this gene.

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