Detailed information for compound 1662955
Basic information
Technical information
- TDR Targets ID: 1662955
- Name: (E)-3-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydro xy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-t rihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7 ,8,9,11,12,15,16,17-tetradecahydrocyclopenta[ a]phenanthren-17-yl]prop-2-enoic acid
- MW: 508.644 | Formula: C28H44O8
-
H donors: 5
H acceptors: 6
LogP: 2.54
Rotable bonds: 4
Rule of 5 violations (Lipinski): 2 - SMILES: OC(=O)/C=C/[C@H]1CC[C@]2([C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O
- InChi: 1S/C28H44O8/c1-15-22(31)23(32)24(33)25(35-15)36-18-9-11-26(2)17(14-18)4-6-20-19(26)10-12-27(3)16(5-7-21(29)30)8-13-28(20,27)34/h5,7,15-20,22-25,31-34H,4,6,8-14H2,1-3H3,(H,29,30)/b7-5+/t15-,16-,17+,18-,19-,20+,22-,23+,24+,25-,26-,27+,28-/m0/s1
- InChiKey: MZDBIEDZOXKPKW-XNBGPIFASA-N
Network
Hover on a compound node to display the structore
Synonyms
- (E)-3-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]prop-2-enoic acid
- (E)-3-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]prop-2-enoic acid
- (E)-3-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]acrylic acid
- (E)-3-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]prop-2-enoic acid
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Canis lupus familiaris | Sodium/potassium-transporting ATPase alpha-1 chain | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Onchocerca volvulus | Nuclear receptor subfamily 6 group A member 1 homolog | 0.0113 | 0.4413 | 0.3324 |
| Brugia malayi | Membrane calcium atpase protein 3 | 0.0016 | 0.0148 | 0.0148 |
| Echinococcus granulosus | plasma membrane calcium transporting ATPase 2 | 0.002 | 0.0329 | 0.0183 |
| Brugia malayi | ecdysone receptor | 0.0113 | 0.4413 | 0.4413 |
| Schistosoma mansoni | photoreceptor-specific nuclear receptor related | 0.0239 | 1 | 1 |
| Trypanosoma brucei | vacuolar-type Ca2+-ATPase 1 | 0.002 | 0.0329 | 1 |
| Brugia malayi | Ligand-binding domain of nuclear hormone receptor family protein | 0.0239 | 1 | 1 |
| Schistosoma mansoni | nuclear hormone receptor | 0.0113 | 0.4413 | 0.4329 |
| Echinococcus multilocularis | nuclear receptor 2DBD gamma | 0.0113 | 0.4413 | 0.4329 |
| Echinococcus granulosus | thyroid hormone receptor alpha | 0.0113 | 0.4413 | 0.4329 |
| Onchocerca volvulus | Nuclear receptor subfamily 6 group A member 1 homolog | 0.0113 | 0.4413 | 0.3324 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 0.4413 | 0.4413 |
| Echinococcus granulosus | nuclear receptor 2DBD gamma | 0.0239 | 1 | 1 |
| Leishmania major | calcium-translocating P-type ATPase | 0.002 | 0.0329 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 0.4413 | 0.4413 |
| Echinococcus granulosus | nuclear receptor nhr 48 | 0.0113 | 0.4413 | 0.4329 |
| Schistosoma mansoni | RAR-like nuclear receptor | 0.0239 | 1 | 1 |
| Echinococcus multilocularis | nuclear receptor 2DBD gamma | 0.0239 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 0.4413 | 0.4413 |
| Loa Loa (eye worm) | hypothetical protein | 0.0239 | 1 | 1 |
| Brugia malayi | Ligand-binding domain of nuclear hormone receptor family protein | 0.0239 | 1 | 1 |
| Schistosoma mansoni | coup transcription factor | 0.0239 | 1 | 1 |
| Schistosoma mansoni | nuclear hormone receptor nor-1/nor-2 | 0.0239 | 1 | 1 |
| Onchocerca volvulus | 0.0113 | 0.4413 | 0.3324 | |
| Brugia malayi | nuclear hormone receptor | 0.0113 | 0.4413 | 0.4413 |
| Echinococcus granulosus | retinoic acid receptor rxr beta a | 0.0239 | 1 | 1 |
| Echinococcus granulosus | Nuclear hormone receptor HR96 | 0.0113 | 0.4413 | 0.4329 |
| Echinococcus multilocularis | nuclear receptor subfamily 1 group D | 0.0126 | 0.5011 | 0.4936 |
| Leishmania major | vacuolar-type Ca2 -ATPase, putative | 0.002 | 0.0329 | 1 |
| Echinococcus granulosus | Nuclear hormone receptor family member nhr 41 | 0.0239 | 1 | 1 |
| Schistosoma mansoni | hepatocyte nuclear factor 4-alpha (hnf-4-alpha) | 0.0113 | 0.4413 | 0.4329 |
| Brugia malayi | Nuclear hormone receptor family member nhr-40 | 0.0239 | 1 | 1 |
| Trypanosoma cruzi | plasma membrane Ca2+ ATPase | 0.002 | 0.0329 | 1 |
| Echinococcus granulosus | nuclear receptor 2DBD gamma | 0.0239 | 1 | 1 |
| Schistosoma mansoni | Na+/K+ transporting ATPase subunit alpha | 0.005 | 0.1631 | 0.1505 |
| Plasmodium vivax | P-type ATPase4, putative | 0.002 | 0.0329 | 0.5 |
| Brugia malayi | nuclear receptor NHR-67 | 0.0113 | 0.4413 | 0.4413 |
| Schistosoma mansoni | retinoid-x-receptor (RXR) | 0.0126 | 0.5011 | 0.4936 |
| Trichomonas vaginalis | plasma membrane calcium-transporting ATPase, putative | 0.002 | 0.0329 | 1 |
| Brugia malayi | photoreceptor-specific nuclear receptor | 0.0239 | 1 | 1 |
| Trichomonas vaginalis | cation-transporting ATPase, putative | 0.002 | 0.0329 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0126 | 0.5011 | 0.5011 |
| Schistosoma mansoni | steroid hormone receptor ad4bp | 0.0239 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 0.4413 | 0.4413 |
| Leishmania major | calcium-transporting ATPase, putative | 0.0016 | 0.0148 | 0.4509 |
| Brugia malayi | Nuclear hormone receptor family member nhr-41 | 0.0239 | 1 | 1 |
| Trypanosoma brucei | vacuolar-type Ca2+-ATPase, putative | 0.002 | 0.0329 | 1 |
| Echinococcus multilocularis | FTZ F1 alpha | 0.0239 | 1 | 1 |
| Onchocerca volvulus | 0.0239 | 1 | 1 | |
| Giardia lamblia | Potassium-transporting ATPase alpha chain 1 | 0.0046 | 0.1451 | 1 |
| Echinococcus multilocularis | FTZ F1 nuclear receptor protein | 0.0239 | 1 | 1 |
| Echinococcus multilocularis | Nuclear hormone receptor family member nhr 41 | 0.0239 | 1 | 1 |
| Brugia malayi | nuclear hormone receptor family member nhr-6 | 0.0113 | 0.4413 | 0.4413 |
| Echinococcus multilocularis | nuclear receptor nhr 48 | 0.0113 | 0.4413 | 0.4329 |
| Trypanosoma cruzi | plasma membrane Ca2+ ATPase | 0.002 | 0.0329 | 1 |
| Schistosoma mansoni | nuclear receptor 2DBD-gamma | 0.0239 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0239 | 1 | 1 |
| Echinococcus multilocularis | Na+:K+ ATPase alpha subunit | 0.0046 | 0.1451 | 0.1322 |
| Loa Loa (eye worm) | hypothetical protein | 0.002 | 0.0329 | 0.0329 |
| Brugia malayi | Nuclear hormone receptor-like 1 | 0.0126 | 0.5011 | 0.5011 |
| Loa Loa (eye worm) | hypothetical protein | 0.0239 | 1 | 1 |
| Trichomonas vaginalis | cation-transporting ATPase, putative | 0.002 | 0.0329 | 1 |
| Schistosoma mansoni | Tr4/Tr2 (homologue) | 0.0239 | 1 | 1 |
| Brugia malayi | orphan nuclear receptor NR2E1 | 0.0113 | 0.4413 | 0.4413 |
| Schistosoma mansoni | thyroid hormone receptor | 0.0239 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor-like 1 | 0.0126 | 0.5011 | 0.5011 |
| Entamoeba histolytica | Plasma membrane calcium-transporting ATPase, putative | 0.002 | 0.0329 | 0.5 |
| Toxoplasma gondii | sarco/endoplasmic reticulum Ca2+-ATPase | 0.002 | 0.0329 | 1 |
| Echinococcus granulosus | sarco:endoplasmic reticulum calcium ATPase | 0.002 | 0.0329 | 0.0183 |
| Schistosoma mansoni | thyroid hormone receptor | 0.0239 | 1 | 1 |
| Brugia malayi | Sodium/potassium-transporting ATPase alpha chain, putative | 0.0043 | 0.1341 | 0.1341 |
| Loa Loa (eye worm) | hypothetical protein | 0.0036 | 0.1012 | 0.1012 |
| Plasmodium vivax | calcium-transporting ATPase, putative | 0.002 | 0.0329 | 0.5 |
| Schistosoma mansoni | FTZ-F1 nuclear receptor-like protein | 0.0239 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0126 | 0.5011 | 0.5011 |
| Brugia malayi | hypothetical protein | 0.0126 | 0.5011 | 0.5011 |
| Echinococcus multilocularis | Tetracycline resistance leader peptide, TetL | 0.002 | 0.0329 | 0.0183 |
| Brugia malayi | steroid hormone receptor | 0.0239 | 1 | 1 |
| Trypanosoma brucei | calcium motive p-type ATPase, putative | 0.0016 | 0.0148 | 0.4509 |
| Echinococcus granulosus | nuclear receptor subfamily 4 group A | 0.0113 | 0.4413 | 0.4329 |
| Echinococcus granulosus | Nuclear hormone receptor HR96 | 0.0113 | 0.4413 | 0.4329 |
| Brugia malayi | Nuclear hormone receptor family member nhr-19 | 0.0239 | 1 | 1 |
| Mycobacterium ulcerans | metal cation transporter p-type ATPase a | 0.005 | 0.1631 | 1 |
| Trichomonas vaginalis | plasma membrane calcium-transporting ATPase, putative | 0.002 | 0.0329 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-31 | 0.0239 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 0.4413 | 0.4413 |
| Echinococcus multilocularis | hepatocyte nuclear factor 4 alpha | 0.0239 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 0.4413 | 0.4413 |
| Echinococcus granulosus | FTZ F1 nuclear receptor protein | 0.0239 | 1 | 1 |
| Echinococcus granulosus | calcium transporting ATPase type 2C member | 0.002 | 0.0329 | 0.0183 |
| Echinococcus multilocularis | Nuclear hormone receptor HR96 | 0.0113 | 0.4413 | 0.4329 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-41 | 0.0239 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor | 0.0113 | 0.4413 | 0.4413 |
| Schistosoma mansoni | nuclear receptor | 0.0113 | 0.4413 | 0.4329 |
| Onchocerca volvulus | Bile acid receptor homolog | 0.0239 | 1 | 1 |
| Echinococcus granulosus | nuclear receptor subfamily 1 group D | 0.0126 | 0.5011 | 0.4936 |
| Mycobacterium leprae | PROBABLE CATION-TRANSPORTER ATPASE I CTPI | 0.0043 | 0.1341 | 0.5 |
| Echinococcus multilocularis | ecdysone induced protein 78C | 0.0239 | 1 | 1 |
| Schistosoma mansoni | nuclear receptor | 0.0113 | 0.4413 | 0.4329 |
| Echinococcus granulosus | COUP TF:Svp nuclear hormone receptor | 0.0239 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0126 | 0.5011 | 0.5011 |
| Schistosoma mansoni | nuclear receptor nhr-48 | 0.0113 | 0.4413 | 0.4329 |
| Loa Loa (eye worm) | hypothetical protein | 0.0239 | 1 | 1 |
| Echinococcus multilocularis | nuclear receptor subfamily 4 group A | 0.0113 | 0.4413 | 0.4329 |
| Echinococcus multilocularis | COUP TF:Svp nuclear hormone receptor | 0.0239 | 1 | 1 |
| Brugia malayi | Na,K-ATPase alpha subunit | 0.005 | 0.1631 | 0.1631 |
| Leishmania major | calcium motive p-type ATPase, putative | 0.0016 | 0.0148 | 0.4509 |
| Brugia malayi | nuclear receptor subfamily 1, group D, member 1, putative | 0.0113 | 0.4413 | 0.4413 |
| Brugia malayi | Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type | 0.0016 | 0.0148 | 0.0148 |
| Echinococcus multilocularis | thyroid hormone receptor alpha | 0.0239 | 1 | 1 |
| Echinococcus multilocularis | sarco:endoplasmic reticulum calcium ATPase | 0.002 | 0.0329 | 0.0183 |
| Loa Loa (eye worm) | nuclear receptor NHR-67 | 0.0113 | 0.4413 | 0.4413 |
| Brugia malayi | Nuclear hormone receptor E75 | 0.0113 | 0.4413 | 0.4413 |
| Schistosoma mansoni | ATPase | 0.002 | 0.0329 | 0.0183 |
| Brugia malayi | Nuclear hormone receptor-like 1 | 0.0239 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-49 | 0.0239 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0239 | 1 | 1 |
| Echinococcus multilocularis | retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha | 0.0113 | 0.4413 | 0.4329 |
| Onchocerca volvulus | 0.0113 | 0.4413 | 0.3324 | |
| Leishmania major | P-type ATPase, putative | 0.0016 | 0.0148 | 0.4509 |
| Schistosoma mansoni | zinc finger protein | 0.0113 | 0.4413 | 0.4329 |
| Schistosoma mansoni | retinoid-x-receptor (RXR) | 0.0239 | 1 | 1 |
| Brugia malayi | nuclear receptor NHR-88 | 0.0239 | 1 | 1 |
| Brugia malayi | nuclear receptor NHR-88 | 0.0113 | 0.4413 | 0.4413 |
| Brugia malayi | hypothetical protein | 0.0113 | 0.4413 | 0.4413 |
| Trichomonas vaginalis | plasma membrane calcium-transporting ATPase, putative | 0.002 | 0.0329 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0239 | 1 | 1 |
| Brugia malayi | nuclear receptor RXR | 0.0113 | 0.4413 | 0.4413 |
| Loa Loa (eye worm) | nuclear receptor nhr-7B | 0.0113 | 0.4413 | 0.4413 |
| Echinococcus multilocularis | calcium transporting ATPase type 2C member | 0.002 | 0.0329 | 0.0183 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 0.4413 | 0.4413 |
| Trichomonas vaginalis | cation-transporting ATPase fungi, putative | 0.002 | 0.0329 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.005 | 0.1631 | 0.1631 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 0.4413 | 0.4413 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-14 | 0.0239 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor E75 | 0.0113 | 0.4413 | 0.4413 |
| Loa Loa (eye worm) | steroid hormone receptor | 0.0239 | 1 | 1 |
| Trichomonas vaginalis | plasma membrane calcium-transporting ATPase, putative | 0.002 | 0.0329 | 1 |
| Loa Loa (eye worm) | Na,K-ATPase alpha subunit | 0.005 | 0.1631 | 0.1631 |
| Loa Loa (eye worm) | hypothetical protein | 0.0126 | 0.5011 | 0.5011 |
| Loa Loa (eye worm) | hypothetical protein | 0.0239 | 1 | 1 |
| Schistosoma mansoni | nuclear hormone receptor | 0.0239 | 1 | 1 |
| Schistosoma mansoni | ATPase | 0.002 | 0.0329 | 0.0183 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 0.4413 | 0.4413 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 0.4413 | 0.4413 |
| Loa Loa (eye worm) | hypothetical protein | 0.0239 | 1 | 1 |
| Echinococcus granulosus | ecdysone induced protein 78C | 0.0239 | 1 | 1 |
| Trichomonas vaginalis | plasma membrane calcium-transporting ATPase, putative | 0.0016 | 0.0148 | 0.4509 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 0.4413 | 0.4413 |
| Trypanosoma cruzi | calcium motive p-type ATPase, putative | 0.0016 | 0.0148 | 0.4509 |
| Brugia malayi | Steroid receptor seven-up type 2 | 0.0239 | 1 | 1 |
| Echinococcus granulosus | hepatocyte nuclear factor 4 alpha | 0.0239 | 1 | 1 |
| Schistosoma mansoni | na+/k+ atpase alpha subunit | 0.0046 | 0.1451 | 0.1322 |
| Trichomonas vaginalis | plasma membrane calcium-transporting ATPase, putative | 0.002 | 0.0329 | 1 |
| Mycobacterium tuberculosis | Possible metal cation transporting P-type ATPase CtpH | 0.0014 | 0.0039 | 0.5 |
| Trypanosoma brucei | calcium-translocating P-type ATPase | 0.0016 | 0.0148 | 0.4509 |
| Leishmania major | vacuolar-type Ca2 -ATPase, putative | 0.002 | 0.0329 | 1 |
| Brugia malayi | nuclear hormone receptor | 0.0239 | 1 | 1 |
| Echinococcus granulosus | Na:K ATPase alpha subunit | 0.0046 | 0.1451 | 0.1322 |
| Brugia malayi | Nuclear hormone receptor family member nhr-19 | 0.0239 | 1 | 1 |
| Toxoplasma gondii | P-type ATPase4, putative | 0.002 | 0.0329 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-49 | 0.0239 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-1 | 0.0239 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-25 | 0.0239 | 1 | 1 |
| Echinococcus multilocularis | nuclear receptor 2DBD gamma | 0.0239 | 1 | 1 |
| Entamoeba histolytica | Plasma membrane calcium-transporting ATPase, putative | 0.002 | 0.0329 | 0.5 |
| Brugia malayi | tailless protein | 0.0113 | 0.4413 | 0.4413 |
| Toxoplasma gondii | calcium-translocating P-type ATPase, PMCA-type protein | 0.002 | 0.0329 | 1 |
| Echinococcus granulosus | FTZ F1 alpha | 0.0239 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 0.4413 | 0.4413 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 0.4413 | 0.4413 |
| Brugia malayi | Nuclear hormone receptor family member nhr-14 | 0.0239 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0126 | 0.5011 | 0.5011 |
| Schistosoma mansoni | nuclear hormone receptor superfamily protein-related | 0.0113 | 0.4413 | 0.4329 |
| Brugia malayi | nuclear receptor RXR | 0.0126 | 0.5011 | 0.5011 |
| Echinococcus multilocularis | Nuclear hormone receptor HR96 | 0.0113 | 0.4413 | 0.4329 |
| Plasmodium falciparum | non-SERCA-type Ca2+ -transporting P-ATPase | 0.002 | 0.0329 | 1 |
| Schistosoma mansoni | ecdysone-induced protein 78c (dr-78) | 0.0126 | 0.5011 | 0.4936 |
| Brugia malayi | Nuclear hormone receptor family member nhr-25 | 0.0239 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-40 | 0.0239 | 1 | 1 |
| Trypanosoma brucei | vacuolar-type Ca2+-ATPase 2 | 0.002 | 0.0329 | 1 |
| Entamoeba histolytica | calcium-transporting P-type ATPase, putative | 0.002 | 0.0329 | 0.5 |
| Loa Loa (eye worm) | sodium/potassium-transporting ATPase subunit alpha | 0.0043 | 0.1341 | 0.1341 |
| Echinococcus granulosus | nuclear receptor 2DBD gamma | 0.0113 | 0.4413 | 0.4329 |
| Trypanosoma cruzi | calcium motive p-type ATPase, putative | 0.0016 | 0.0148 | 0.4509 |
| Loa Loa (eye worm) | nuclear Hormone Receptor family member | 0.0239 | 1 | 1 |
| Loa Loa (eye worm) | DR-78 | 0.0113 | 0.4413 | 0.4413 |
| Loa Loa (eye worm) | hypothetical protein | 0.0029 | 0.0726 | 0.0726 |
| Trichomonas vaginalis | cation-transporting ATPase, putative | 0.002 | 0.0329 | 1 |
| Schistosoma mansoni | retinoic acid receptor RXR | 0.0239 | 1 | 1 |
| Onchocerca volvulus | Protein ultraspiracle homolog | 0.0239 | 1 | 1 |
| Brugia malayi | nuclear hormone receptor family member odr-7 | 0.0113 | 0.4413 | 0.4413 |
| Trypanosoma cruzi | Calcium ATPase SERCA-like | 0.002 | 0.0329 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor-like 1 | 0.0126 | 0.5011 | 0.5011 |
| Loa Loa (eye worm) | hypothetical protein | 0.0037 | 0.1055 | 0.1055 |
| Giardia lamblia | Plasma membrane calcium-transporting ATPase 2 | 0.002 | 0.0329 | 0.1388 |
| Onchocerca volvulus | Steroid hormone receptor family member cnr14 homolog | 0.0239 | 1 | 1 |
| Brugia malayi | conserved hypotetical protein | 0.0113 | 0.4413 | 0.4413 |
| Schistosoma mansoni | nuclear hormone receptor | 0.0113 | 0.4413 | 0.4329 |
| Brugia malayi | Nuclear hormone receptor family member nhr-1 | 0.0239 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0126 | 0.5011 | 0.5011 |
| Brugia malayi | Nuclear hormone receptor family member nhr-3 | 0.0239 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0113 | 0.4413 | 0.4413 |
| Mycobacterium ulcerans | metal cation-transporting p-type ATPase F, CtpF | 0.002 | 0.0329 | 0.1823 |
| Toxoplasma gondii | plasma membrane-type Ca(2+)-ATPase A1 PMCAA1 | 0.0016 | 0.0148 | 0.4509 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-31 | 0.0239 | 1 | 1 |
| Entamoeba histolytica | Plasma membrane calcium-transporting ATPase, putative | 0.002 | 0.0329 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 13 nM | Inhibition of [3H]-ouabain binding to Digitalis receptor in dog heart microsomes | ChEMBL. | 9154966 |
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.
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
- ChEMBL: CHEMBL2069118
Bibliographic References
No literature references available for this target.
If you have references for this compound, please enter them in a user comment (below) or Contact us.