obeticholic acid: A farnesoid X receptor agonist and anticholestatic agent that is used in the treatment of chronic liver diseases; structure in first source. [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
obeticholic acid : A dihydroxy-5beta-cholanic acid that is chenodeoxycholic acid carrying an additional ethyl substituent at the 6alpha-position. A semi-synthetic bile acid which acts as a farnesoid X receptor agonist and is used for treatment of primary biliary cholangitis. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]
| ID Source | ID |
|---|---|
| PubMed CID | 447715 |
| CHEMBL ID | 566315 |
| CHEBI ID | 43602 |
| SCHEMBL ID | 715823 |
| MeSH ID | M0437911 |
| Synonym |
|---|
| 6alpha-ethyl-chenodeoxycholic acid |
| 459789-99-2 |
| 6-ethyl-cdca |
| 6-ethylchenodeoxycholic acid |
| 6-ecdca |
| 6-ethyl-chenodeoxycholic acid |
| bdbm21675 |
| 6ecdca |
| int747 |
| (4r)-4-[(1s,2s,5r,7s,8r,9r,10s,11s,14r,15r)-8-ethyl-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid |
| 1OSV |
| int-747 , |
| ocaliva |
| dsp-1747 |
| 6-ethyl-3,7-dihydroxycholan-24-oic acid |
| cholan-24-oic acid, 6-ethyl-3,7-dihydroxy-, (3alpha,5beta,6alpha,7alpha)- |
| int 747 |
| obeticholic acid |
| dsp1747 |
| 6alpha-ethyl-3alpha,7alpha-dihydroxy-5beta-cholan-24-oic acid |
| 6-ethyl chenodeoxycholic acid |
| (4r)-4-[(3r,5s,6r,7r,8s,9s,10s,13r,14s,17r)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| ocaliva (tn) |
| D09360 |
| obeticholic acid (jan/usan/inn) |
| CHEMBL566315 |
| obeticholic acid [usan:inn] |
| unii-0462z4s4oz |
| 0462z4s4oz , |
| 6-alpha-ethylchenodeoxycholic acid |
| obeticholic acid [orange book] |
| obeticholic acid [jan] |
| obeticholic acid [usan] |
| obeticholic acid [inn] |
| (3.alpha.,5.beta.,6.alpha.,7.alpha.)-6-ethyl-3,7-dihydroxycholan-24-oic acid |
| obeticholic acid [who-dd] |
| cholan-24-oic acid, 6-ethyl-3,7-dihydroxy-, (3.alpha.,5.beta.,6.alpha.,7.alpha.)- |
| obeticholic acid [mi] |
| gtpl3435 |
| 6-et cdca |
| SCHEMBL715823 |
| 3alpha,7alpha-dihydroxy-6alpha-ethyl-5beta-cholan-24-oic acid |
| ZXERDUOLZKYMJM-ZWECCWDJSA-N |
| CS-3813 |
| AKOS024259126 |
| (3alpha,5beta,6alpha,7alpha,8xi)-6-ethyl-3,7-dihydroxycholan-24-oic acid |
| HB3731 |
| HY-12222 |
| DTXSID20196671 , |
| EX-A387 |
| GS-6103 |
| CHEBI:43602 , |
| (3alpha,5beta,6alpha,7alpha)-6-ethyl-3,7-dihydroxycholan-24-oic acid |
| 6alpha-ethylchenodeoxycholic acid |
| P16663 |
| 3a, 7a -dihydroxy-6a -ethyl-5b-cholan-24-oic acid |
| A854341 |
| obeticholic acid (int-747) |
| DB05990 |
| (3beta,5beta,6alpha,7beta)-6-ethyl-3,7-dihydroxycholan-24-oic acid |
| Q15708271 |
| AMY16595 |
| NCGC00480885-01 |
| obetichloic acid |
| 6-ecdca; obeticholic acid |
| (r)-4-((3r,7r,8s,9s,10s,13r,14s,17r)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-hexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanoic acid |
| (4r)-4-[(1r,3as,3bs,4r,5r,5as,7r,9as,9bs,11ar)-5-ethyl-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1h-cyclopenta[a]phenanthren-1-yl]pentanoic acid |
| EN300-20332085 |
| dtxcid60119162 |
| acidum obeticholicum |
| acide obeticholique |
| acido obeticolico |
| a05aa04 |
Obeticholic acid (OCA) is a farnesoid X receptor agonist used in primary biliary cholangitis (PBC) treatment. It is a semi-synthetic hydrophobic bile acid (BA) analogue. It induces expression of gut-derived hormones, in particular fibroblast growth factor 19.
| Excerpt | Reference | Relevance |
|---|---|---|
| "Obeticholic acid (OCA) is a farnesoid X receptor agonist used in primary biliary cholangitis (PBC) treatment. " | ( Safety and tolerability of obeticholic acid in chronic liver disease: a pooled analysis of 1878 individuals. Chan, KE; Chee, D; Chew, NWS; Fu, CE; Huang, DQ; Muthiah, M; Nah, B; Ng, CH; Noureddin, M; Sanyal, AJ; Siddqui, MS; Tan, C; Tan, DJH; Tang, ASP; Teng, M; Wong, GHZ; Wong, ZY; Xiao, J; Yong, JN; Zeng, RW, 2023) | 2.65 |
| "Obeticholic acid (OCA) is a potent farnesoid X receptor (FXR) agonist approved for the treatment of primary biliary cholangitis." | ( A randomized, placebo-controlled, phase II study of obeticholic acid for primary sclerosing cholangitis. Andreone, P; Bowlus, CL; Floreani, A; Goldberg, D; Hirschfield, GM; Jin, Y; Kowdley, KV; LaRusso, NF; Levy, C; MacConell, L; Pencek, R; Rushbrook, S; Schiano, T; Shapiro, D; Shrestha, R; Trotter, J; Vuppalanchi, R, 2020) | 1.53 |
| "Obeticholic acid (OCA) is a semi-synthetic hydrophobic bile acid (BA) analogue that is highly selective agonist of farnesoid X receptor (FXR), a key nuclear BA receptor, which induces expression of gut-derived hormones, in particular fibroblast growth factor 19. " | ( Obeticholic acid-a new therapy in PBC and NASH. Chapman, RW; Lynch, KD, 2020) | 3.44 |
| "Obeticholic acid (OCA) is an agonist of the nuclear bile acid receptor farnesoid X receptor, which regulates hepatic bile acid metabolism. " | ( Obeticholic acid improves hepatic bile acid excretion in patients with primary biliary cholangitis. Erickson, M; Frisch, K; Hofmann, AF; Horsager, J; Keiding, S; Kjærgaard, K; Munk, OL; Schacht, AC; Shapiro, D; Sørensen, M, 2021) | 3.51 |
| "Obeticholic acid (OCA) is a semisynthetic bile acid (BA) analog and potent farnesoid X receptor agonist approved to treat cholestasis. " | ( Metabolic Profile of Obeticholic Acid and Endogenous Bile Acids in Rats with Decompensated Liver Cirrhosis. Adorini, L; Aldini, R; Camborata, C; Cont, M; D'Errico, A; Degiovanni, A; Franco, P; Maroni, L; Roda, A; Spinozzi, S; Vasuri, F, 2017) | 2.22 |
| "Obeticholic acid (OCA) is a farnesoid X receptor (FXR) agonist which has been evaluated as a second-line therapy in PBC and has been recently licensed by the Food and Drug Administration and European Medicines Agency for use in patients showing an inadequate response to UDCA or who are unable to tolerate it." | ( What Comes after Ursodeoxycholic Acid in Primary Biliary Cholangitis? Hegade, VS; Jones, DEJ; Wong, LL, 2017) | 1.18 |
| "Obeticholic acid (OCA) is a semisynthetic farnesoid X receptor (FXR) agonist, an analogue of chenodeoxycholic acid (CDCA) which is indicated for the treatment of primary biliary cholangitis (PBC) in combination with ursodeoxycholic acid (UDCA). " | ( Comparative potency of obeticholic acid and natural bile acids on FXR in hepatic and intestinal in vitro cell models. Brouwer, KR; Edwards, JE; Jackson, JP; Kansra, S; LaCerte, C; Zhang, Y, 2017) | 2.21 |
| "Obeticholic acid (OCA) is a selective farnesoid X receptor (FXR) agonist that regulates bile acid and lipid metabolism. " | ( FXR activation by obeticholic acid or nonsteroidal agonists induces a human-like lipoprotein cholesterol change in mice with humanized chimeric liver. Dong, B; Lewis, RD; Liu, J; Liu, X; Papazyan, R; Plummer, EM; Roth, JD; Young, MA, 2018) | 2.26 |
| "Obeticholic acid (OCA) is a semi-synthetic bile acid analogue." | ( Obeticholic acid protects against diabetic cardiomyopathy by activation of FXR/Nrf2 signaling in db/db mice. Da, J; He, Y; Liu, G; Wu, H; Xie, B, 2019) | 2.68 |
| "Obeticholic acid (OCA) is a farnesoid-X-receptor (FXR) ligand, shown effective in reducing steatosis and fibrosis in NASH patients. " | ( Ursodeoxycholic acid is a GPBAR1 agonist and resets liver/intestinal FXR signaling in a model of diet-induced dysbiosis and NASH. Biagioli, M; Carino, A; Distrutti, E; Fiorucci, C; Fiorucci, S; Marchianò, S; Monti, MC; Ricci, P; Scarpelli, P; Zampella, A, 2019) | 1.96 |
| "Obeticholic acid (OCA) is a potent ligand of the nuclear hormone receptor farnesoid X receptor (FXR)." | ( Obeticholic acid for the treatment of primary biliary cirrhosis. Gershwin, ME; Hirschfield, GM; Trivedi, PJ, 2016) | 2.6 |
| "Obeticholic acid (Ocaliva(TM)) is a farnesoid-X receptor (FXR) agonist that is being developed by Intercept Pharmaceuticals for the treatment of various liver diseases, and has recently been granted accelerated approval in the USA for the treatment of primary biliary cholangitis in combination with ursodeoxycholic acid in adults with an inadequate response to ursodeoxycholic acid, or as monotherapy in adults unable to tolerate ursodeoxycholic acid. " | ( Obeticholic Acid: First Global Approval. Keam, SJ; Markham, A, 2016) | 3.32 |
| "Obeticholic acid (OCA) is a FXR agonist being developed for treating various chronic liver diseases." | ( Regulation of lipid metabolism by obeticholic acid in hyperlipidemic hamsters. Dong, B; Liu, J; Liu, X; Singh, AB; Young, M, 2017) | 1.46 |
Obeticholic acid (OCA) has been restricted in patients with primary biliary cholangitis (PBC) with "advanced cirrhosis" because of its narrow therapeutic index. The anti-inflammatory effects of OCA may efficiently treat Covid-19.
Obeticholic acid (OCA) treatment was associated with significant reductions in total and direct bilirubin. Treatment could enhance the efficacy of portal vein embolization, thereby increasing resectability.
| Excerpt | Reference | Relevance |
|---|---|---|
| " It was appropriate for preclinical pharmacokinetic studies of OCA." | ( An ultra-performance liquid chromatography-tandem mass spectrometry method for the determination of obeticholic acid in rat plasma and its application in preclinical pharmacokinetic studies. Hu, GX; Li, XY; Yang, F; Yuan, LJ; Zhu, SH, 2019) | 0.73 |
| " The method was successfully validated and applied to the pharmacokinetic studies in healthy Chinese volunteers after a single oral dose administration of obeticholic acid tablets of 10 mg, and the pharmacokinetic characteristics of obeticholic acid in human were reported for the first time." | ( A Sensitive HPLC-MS/MS Method for Determination of Obeticholic Acid in Human Plasma: Application to a Pharmacokinetic Study in Healthy Volunteers. Ding, L; Hu, C; Lai, Y; Li, Y; Liu, Y, 2022) | 1.17 |
| Excerpt | Reference | Relevance |
|---|---|---|
| "Cytochrome P450 (CYP) downregulation is a mechanism of drug-drug interaction encountered in pharmaceutical development which is difficult to evaluate in vitro because of the scarcity of evidence." | ( CYP1A2 Downregulation by Obeticholic Acid: Usefulness as a Positive Control for the In Vitro Evaluation of Drug-Drug Interactions. Ishida, C; Kotake, Y; Sanoh, S, 2019) | 0.82 |
| Role | Description |
|---|---|
| farnesoid X receptor agonist | An agonist that binds to and activates farnesoid X receptors |
| hepatoprotective agent | Any compound that is able to prevent damage to the liver. |
| [role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Class | Description |
|---|---|
| dihydroxy-5beta-cholanic acid | A hydroxy-5beta-cholanic acid carrying two hydroxy groups at unspecified positions. |
| 3alpha-hydroxy steroid | A 3-hydroxy steroid in which the 3-hydroxy substituent is in the alpha-position. |
| 7alpha-hydroxy steroid | A 7-hydroxy steroid in which the hydroxy group at position 7 has an alpha-configuration. |
| [compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | Homo sapiens (human) | EC50 (µMol) | 0.7550 | 0.0008 | 0.3733 | 6.7100 | AID297450 |
| Alpha-2B adrenergic receptor | Homo sapiens (human) | EC50 (µMol) | 0.7550 | 0.0005 | 1.3644 | 6.7100 | AID297450 |
| Alpha-2C adrenergic receptor | Homo sapiens (human) | EC50 (µMol) | 0.7550 | 0.0005 | 0.5541 | 6.7100 | AID297450 |
| G-protein coupled bile acid receptor 1 | Mus musculus (house mouse) | EC50 (µMol) | 5.7400 | 0.1320 | 1.6207 | 5.7400 | AID1477584 |
| G-protein coupled bile acid receptor 1 | Homo sapiens (human) | EC50 (µMol) | 4.7990 | 0.0237 | 2.5259 | 8.9000 | AID1059690; AID1349299; AID1477582; AID1686017; AID1698084; AID1798108; AID297450; AID592917 |
| Bile acid receptor | Homo sapiens (human) | EC50 (µMol) | 6.2031 | 0.0040 | 1.4191 | 10.0000 | AID1166179; AID1166180; AID1166181; AID1232938; AID1349295; AID1446797; AID1477476; AID1477478; AID1546885; AID1546886; AID1604910; AID1604912; AID1633315; AID1686015; AID1698076; AID1698077; AID1798109; AID240068; AID240176; AID267784; AID297451; AID441572; AID592913; AID72525; AID72526 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID1698145 | Anti-hepatosteatosis activity in high-fat,high-fructose-combined CCl4-induced C57BL/6J mouse model of nonalcoholic steatohepatitis assessed as reduction in ALT level at 20 mg/kg administered daily via oral gavage for 4 weeks | 2020 | Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21 | Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. |
| AID494897 | Drug level in db/db mouse liver at 25 mg/kg bid after 4 hrs by LC/MS-MS analysis | 2010 | Bioorganic & medicinal chemistry letters, Aug-15, Volume: 20, Issue:16 | Synthesis and pharmacological validation of a novel series of non-steroidal FXR agonists. |
| AID1686053 | Drug metabolism in bile of fistula Wistar-Han rat model assessed as maximum bile secretion at 60 umol/kg, ID by HPLC-ES-MS/MS analysis | 2016 | Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19 | Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders. |
| AID72527 | Relative recruitment of SRC1 peptide to Farnesoid X receptor (FXR) where CDCA=100% | 2002 | Journal of medicinal chemistry, Aug-15, Volume: 45, Issue:17 | 6alpha-ethyl-chenodeoxycholic acid (6-ECDCA), a potent and selective FXR agonist endowed with anticholestatic activity. |
| AID1686052 | Drug metabolism in bile of fistula Wistar-Han rat model assessed as maximum bile secretion at 60 umol/kg, iv by HPLC-ES-MS/MS analysis | 2016 | Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19 | Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders. |
| AID1686016 | Agonist activity at glutathione transferase-tagged human FXR-LBD using biotinylated Src-1 peptide incubated for 30 mins by recruitment coactivator assay relative to 50 uM CDCA | 2016 | Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19 | Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders. |
| AID1165599 | Agonist activity at human FXR ligand binding domain assessed as induction of biotinylated SRC1 peptide recruitment at 4 uM by coactivator recruitment assay | 2014 | Journal of medicinal chemistry, Oct-23, Volume: 57, Issue:20 | Exploitation of cholane scaffold for the discovery of potent and selective farnesoid X receptor (FXR) and G-protein coupled bile acid receptor 1 (GP-BAR1) ligands. |
| AID1349320 | Drug level in C57BL/6 mouse liver at 10 mg/kg, po administered as single dose via gavage measured at 3 hrs post dose by LC-MS/MS analysis | 2017 | ACS medicinal chemistry letters, Dec-14, Volume: 8, Issue:12 | Synthesis and Biological Evaluation of a Series of Bile Acid Derivatives as FXR Agonists for Treatment of NASH. |
| AID1451584 | Inhibition of sEH in primary human monocytes-derived macrophages assessed as reduction in LPS-stimulated IL-12p70 release at 1 uM after 16 hrs by cytometric bead array method | 2017 | Journal of medicinal chemistry, 09-28, Volume: 60, Issue:18 | A Dual Modulator of Farnesoid X Receptor and Soluble Epoxide Hydrolase To Counter Nonalcoholic Steatohepatitis. |
| AID1232939 | Agonist activity at human full length FXR expressed in HeLa cells cotransfected with pSG5-human RXR after 24 hrs by Dual-Glo luciferase reporter gene assay relative to 3 uM GW4064 | 2015 | Bioorganic & medicinal chemistry, Jul-01, Volume: 23, Issue:13 | Fragmentation of GW4064 led to a highly potent partial farnesoid X receptor agonist with improved drug-like properties. |
| AID297452 | Agonist activity at human FXR expressed in COS1 cells after 5 hrs by CRE-driven luciferase reporter gene assay relative to 6ECDCA | 2007 | Journal of medicinal chemistry, Sep-06, Volume: 50, Issue:18 | Nongenomic actions of bile acids. Synthesis and preliminary characterization of 23- and 6,23-alkyl-substituted bile acid derivatives as selective modulators for the G-protein coupled receptor TGR5. |
| AID1166181 | Agonist activity at human FXR expressed in human HeLa cells assessed as receptor activation by BSEP promoter-driven firefly luciferase reporter gene assay | 2014 | Journal of medicinal chemistry, Oct-09, Volume: 57, Issue:19 | Extending the structure-activity relationship of anthranilic acid derivatives as farnesoid X receptor modulators: development of a highly potent partial farnesoid X receptor agonist. |
| AID1349301 | Selectivity ratio of EC50 for recombinant human GST-tagged FXR LBD (193 to 472 residues) expressed in baculovirus-infected insect cells to EC50 for human TGR5 expressed in HEK293 cells | 2017 | ACS medicinal chemistry letters, Dec-14, Volume: 8, Issue:12 | Synthesis and Biological Evaluation of a Series of Bile Acid Derivatives as FXR Agonists for Treatment of NASH. |
| AID1138171 | Agonist activity at FXR in human HepG2 cells assessed as upregulation of OST-alpha mRNA expression at 10 uM after 18 hrs by RT-PCR analysis | 2014 | Journal of medicinal chemistry, Feb-13, Volume: 57, Issue:3 | Design, synthesis, and biological evaluation of potent dual agonists of nuclear and membrane bile acid receptors. |
| AID1349331 | Anti-hepatic steatosis activity in HFD/CCl4-induced non-alcoholic hepatic steatosis C57BL/6 mouse model assessed as reduction in triglyceride level at 30 mg/kg, po administered once daily via gavage for 28 days measured at post last dose by sirus red stai | 2017 | ACS medicinal chemistry letters, Dec-14, Volume: 8, Issue:12 | Synthesis and Biological Evaluation of a Series of Bile Acid Derivatives as FXR Agonists for Treatment of NASH. |
| AID592923 | Induction of FXR-mediated Ostbeta mRNA expression in human HepG2 cells at 1 uM by RT-PCR | 2011 | Bioorganic & medicinal chemistry, Apr-15, Volume: 19, Issue:8 | Extending SAR of bile acids as FXR ligands: discovery of 23-N-(carbocinnamyloxy)-3α,7α-dihydroxy-6α-ethyl-24-nor-5β-cholan-23-amine. |
| AID1633318 | Half life in CD1 mouse liver microsomes at 1 uM up to 40 mins by LC-MS/MS method | 2019 | ACS medicinal chemistry letters, Apr-11, Volume: 10, Issue:4 | Novel Isoxazole Derivatives with Potent FXR Agonistic Activity Prevent Acetaminophen-Induced Liver Injury. |
| AID1633313 | Agonist activity at GST-tagged FXR-LBD (unknown origin) assessed as biotin-labeled SRC-1 recruitment at 5 uM after 30 mins by Alpha Screen assay relative to CDCA | 2019 | ACS medicinal chemistry letters, Apr-11, Volume: 10, Issue:4 | Novel Isoxazole Derivatives with Potent FXR Agonistic Activity Prevent Acetaminophen-Induced Liver Injury. |
| AID1059687 | Selectivity ratio of EC50 for TGR5 N76A mutant (unknown origin) to EC50 for wild type TGR5 (unknown origin) | 2013 | ACS medicinal chemistry letters, Dec-12, Volume: 4, Issue:12 | Probing the Binding Site of Bile Acids in TGR5. |
| AID1349314 | Cmax in C57BL/6 mouse assessed as tauro-INT-747 level at 10 mg/kg, po administered via gavage | 2017 | ACS medicinal chemistry letters, Dec-14, Volume: 8, Issue:12 | Synthesis and Biological Evaluation of a Series of Bile Acid Derivatives as FXR Agonists for Treatment of NASH. |
| AID1138165 | Induction of cAMP production in GP-BAR1-deficient HEK293T cells at 10 uM by cAMP responsive element containing luciferase reporter gene assay | 2014 | Journal of medicinal chemistry, Feb-13, Volume: 57, Issue:3 | Design, synthesis, and biological evaluation of potent dual agonists of nuclear and membrane bile acid receptors. |
| AID1698112 | Antifibrotic activity in CCl4-induced C57BL/6J mouse model of liver injury assessed as reduction in liver collagen deposition administered daily via oral gavage for 6 weeks measured 48 hrs post last dose by sirus staining based assay | 2020 | Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21 | Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. |
| AID1686056 | Drug metabolism in bile of fistula Wistar-Han rat model assessed as maximum biliary secretion of the administered compound including the secreted taurine conjugates at 60 umol/kg, iv by HPLC-ES-MS/MS analysis | 2016 | Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19 | Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders. |
| AID1546886 | Agonist activity at FXR (unknown origin) by cell based assay | 2020 | Journal of medicinal chemistry, 05-28, Volume: 63, Issue:10 | The Race to Bash NASH: Emerging Targets and Drug Development in a Complex Liver Disease. |
| AID1349310 | AUC in C57BL/6 mouse assessed as tauro-INT-747 level at 10 mg/kg, po administered via gavage | 2017 | ACS medicinal chemistry letters, Dec-14, Volume: 8, Issue:12 | Synthesis and Biological Evaluation of a Series of Bile Acid Derivatives as FXR Agonists for Treatment of NASH. |
| AID1604912 | Agonist activity at FXR transfected in human HEK293T cells o-expressing pGL3/hBSEP/luc incubated for 24 hrs by Steady-Glo reagent based luciferase reporter gene assay | 2020 | Journal of medicinal chemistry, 04-23, Volume: 63, Issue:8 | Nidufexor (LMB763), a Novel FXR Modulator for the Treatment of Nonalcoholic Steatohepatitis. |
| AID1633319 | Metabolic stability in CD1 mouse liver microsomes assessed as compound remaining at 1 uM up to 40 mins by LC-MS/MS method relative to control | 2019 | ACS medicinal chemistry letters, Apr-11, Volume: 10, Issue:4 | Novel Isoxazole Derivatives with Potent FXR Agonistic Activity Prevent Acetaminophen-Induced Liver Injury. |
| AID1686054 | Drug metabolism in bile of fistula Wistar-Han rat model assessed as maximum biliary secretion at 60 umol/kg, iv by HPLC-ES-MS/MS analysis | 2016 | Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19 | Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders. |
| AID1698122 | Toxicity in high-fat,high-fructose-combined CCl4-induced C57BL/6J mouse model of liver injury assessed as effect on body weight at 20 mg/kg, po administered daily via gavage for 4 weeks | 2020 | Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21 | Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. |
| AID1451563 | Inhibition of sEH in human HuT-78 cells assessed as reduction in Pam3CSK4-stimulated TNFalpha release preincubated for 24 hrs followed by Pam3CSK4 addition measured after 18 hrs by ELISA | 2017 | Journal of medicinal chemistry, 09-28, Volume: 60, Issue:18 | A Dual Modulator of Farnesoid X Receptor and Soluble Epoxide Hydrolase To Counter Nonalcoholic Steatohepatitis. |
| AID1686018 | Agonist activity at TGR5 in human NCI-H716 cells assessed as stimulation of intracellular cAMP accumulation incubated for 60 mins by HTR-FRET assay relative to 10 uM LCA | 2016 | Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19 | Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders. |
| AID1349299 | Agonist activity at human TGR5 expressed in HEK293 cells assessed as increase in intracellular cAMP level after 1 hr by TR-FRET assay | 2017 | ACS medicinal chemistry letters, Dec-14, Volume: 8, Issue:12 | Synthesis and Biological Evaluation of a Series of Bile Acid Derivatives as FXR Agonists for Treatment of NASH. |
| AID1698154 | Anti-hepatosteatosis activity in high-fat,high-fructose-combined CCl4-induced C57BL/6J mouse model of nonalcoholic steatohepatitis assessed as reduction in Cd68 mRNA expression at 20 mg/kg administered daily via oral gavage for 4 weeks by SYBR green dye b | 2020 | Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21 | Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. |
| AID1698113 | Antifibrotic activity in CCl4-induced C57BL/6J mouse model of liver injury assessed as reduction in hepatic hydroxyproline content at 20 mg/kg, po administered daily via gavage for 6 weeks measured 48 hrs post last dose | 2020 | Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21 | Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. |
| AID1477478 | Agonist activity at human FXR expressed in HEK293T cells assessed as BSEP promoter driven cellular transcriptional activity after 24 hrs by luciferase reporter gene assay | 2017 | Journal of medicinal chemistry, 12-28, Volume: 60, Issue:24 | Discovery of Tropifexor (LJN452), a Highly Potent Non-bile Acid FXR Agonist for the Treatment of Cholestatic Liver Diseases and Nonalcoholic Steatohepatitis (NASH). |
| AID1510995 | Hepatoprotective activity in Sprague-Dawley rat assessed as reduction in ANIT-stimulated total bilirubin level at 20 mg/kg, ig administered for 8 days by biochemical analysis | 2019 | ACS medicinal chemistry letters, Jul-11, Volume: 10, Issue:7 | Discovery of a Novel Selective Dual Peroxisome Proliferator-Activated Receptor α/δ Agonist for the Treatment of Primary Biliary Cirrhosis. |
| AID1349316 | Tmax in C57BL/6 mouse at 10 mg/kg, po administered via gavage | 2017 | ACS medicinal chemistry letters, Dec-14, Volume: 8, Issue:12 | Synthesis and Biological Evaluation of a Series of Bile Acid Derivatives as FXR Agonists for Treatment of NASH. |
| AID267784 | Binding affinity to FXR assessed as ligand-dependent SRC1 recruitment by FRET based co-activator assay | 2006 | Journal of medicinal chemistry, Jul-13, Volume: 49, Issue:14 | Back door modulation of the farnesoid X receptor: design, synthesis, and biological evaluation of a series of side chain modified chenodeoxycholic acid derivatives. |
| AID1166182 | Agonist activity at human FXR expressed in human HeLa cells assessed as receptor activation by BSEP promoter-driven firefly luciferase reporter gene assay relative to 3 uM GW4064 | 2014 | Journal of medicinal chemistry, Oct-09, Volume: 57, Issue:19 | Extending the structure-activity relationship of anthranilic acid derivatives as farnesoid X receptor modulators: development of a highly potent partial farnesoid X receptor agonist. |
| AID1165601 | Toxicity in GP-BAR1-/- C57BL/6NCrl mouse with 9 day ANIT treatment-induded cholestasis assessed as induction of itching at 35 ug dosed intradermally and measured for 60 mins on day 11 | 2014 | Journal of medicinal chemistry, Oct-23, Volume: 57, Issue:20 | Exploitation of cholane scaffold for the discovery of potent and selective farnesoid X receptor (FXR) and G-protein coupled bile acid receptor 1 (GP-BAR1) ligands. |
| AID1059681 | Agonist activity at TGR5 Y89F mutant (unknown origin) | 2013 | ACS medicinal chemistry letters, Dec-12, Volume: 4, Issue:12 | Probing the Binding Site of Bile Acids in TGR5. |
| AID1349294 | Anti-hepatic steatosis activity in HFD/CCl4-induced non-alcoholic hepatic steatosis C57BL/6 mouse model assessed as reduction in hepatic steatosis score at 30 mg/kg, po administered once daily via gavage for 28 days measured at post last dose by hematoxyl | 2017 | ACS medicinal chemistry letters, Dec-14, Volume: 8, Issue:12 | Synthesis and Biological Evaluation of a Series of Bile Acid Derivatives as FXR Agonists for Treatment of NASH. |
| AID1477479 | Agonist activity at human FXR expressed in HEK293T cells assessed as BSEP promoter driven cellular transcriptional activity after 24 hrs by luciferase reporter gene assay relative to GW4064 | 2017 | Journal of medicinal chemistry, 12-28, Volume: 60, Issue:24 | Discovery of Tropifexor (LJN452), a Highly Potent Non-bile Acid FXR Agonist for the Treatment of Cholestatic Liver Diseases and Nonalcoholic Steatohepatitis (NASH). |
| AID1604911 | Agonist activity at GST-tagged human FXR-LBD (193 to 472 residues) using biotinylated SRC-1 peptide as substrate incubated for 1 hrs by HTRF assay relative to GW4064 | 2020 | Journal of medicinal chemistry, 04-23, Volume: 63, Issue:8 | Nidufexor (LMB763), a Novel FXR Modulator for the Treatment of Nonalcoholic Steatohepatitis. |
| AID1686055 | Drug metabolism in bile of fistula Wistar-Han rat model assessed as maximum biliary secretion at 60 umol/kg, ID by HPLC-ES-MS/MS analysis | 2016 | Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19 | Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders. |
| AID1686058 | Drug metabolism in bile of fistula Wistar-Han rat model assessed as taurine conjugate formation at 60 umol/kg, iv by HPLC-ES-MS/MS analysis | 2016 | Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19 | Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders. |
| AID1477582 | Agonist activity at human TGR5 | 2017 | Journal of medicinal chemistry, 12-28, Volume: 60, Issue:24 | Discovery of Tropifexor (LJN452), a Highly Potent Non-bile Acid FXR Agonist for the Treatment of Cholestatic Liver Diseases and Nonalcoholic Steatohepatitis (NASH). |
| AID297450 | Agonist activity at human TGR5 expressed in CHO cells after 5 hrs by CRE-driven luciferase reporter gene assay | 2007 | Journal of medicinal chemistry, Sep-06, Volume: 50, Issue:18 | Nongenomic actions of bile acids. Synthesis and preliminary characterization of 23- and 6,23-alkyl-substituted bile acid derivatives as selective modulators for the G-protein coupled receptor TGR5. |
| AID1451529 | Transactivation of FXR in human HepG2 cells assessed as SHP mRNA expression at 1 uM after 8 to 16 hrs by SYBR green based qRT-PCR analysis relative to DMSO control | 2017 | Journal of medicinal chemistry, 09-28, Volume: 60, Issue:18 | A Dual Modulator of Farnesoid X Receptor and Soluble Epoxide Hydrolase To Counter Nonalcoholic Steatohepatitis. |
| AID1698132 | Effect on plasma insulin level in high-fat,high-fructose-combined CCl4-induced C57BL/6J mouse model of nonalcoholic steatohepatitis at 20 mg/kg, po administered daily via gavage for 4 weeks by ELISA | 2020 | Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21 | Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. |
| AID1698076 | Agonist activity at GST-tagged human FXR LBD assessed as induction of biotinylated coactivator SRC-1 peptide recruitment measured after 2 hrs by streptavidin-conjugated AlphaScreen assay | 2020 | Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21 | Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. |
| AID1349318 | Tmax in C57BL/6 mouse assessed as tauro-INT-747 level at 10 mg/kg, po administered via gavage | 2017 | ACS medicinal chemistry letters, Dec-14, Volume: 8, Issue:12 | Synthesis and Biological Evaluation of a Series of Bile Acid Derivatives as FXR Agonists for Treatment of NASH. |
| AID1349324 | Drug level in C57BL/6 mouse plasma at 10 mg/kg, po administered as single dose via gavage measured at 3 hrs post dose by LC-MS/MS analysis | 2017 | ACS medicinal chemistry letters, Dec-14, Volume: 8, Issue:12 | Synthesis and Biological Evaluation of a Series of Bile Acid Derivatives as FXR Agonists for Treatment of NASH. |
| AID1686048 | In-vivo activation of FXR in C57BL/3 mouse assessed as increase in intestinal Fgf15 mRNA expression at 10 mg/kg/day, po for 5 days by quantitative real time qRT-PCR analysis | 2016 | Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19 | Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders. |
| AID1166180 | Agonist activity at FXR (unknown origin) by reporter gene assay | 2014 | Journal of medicinal chemistry, Oct-09, Volume: 57, Issue:19 | Extending the structure-activity relationship of anthranilic acid derivatives as farnesoid X receptor modulators: development of a highly potent partial farnesoid X receptor agonist. |
| AID494898 | Drug level in db/db mouse liver at 25 mg/kg bid after 24 hrs by LC/MS-MS analysis | 2010 | Bioorganic & medicinal chemistry letters, Aug-15, Volume: 20, Issue:16 | Synthesis and pharmacological validation of a novel series of non-steroidal FXR agonists. |
| AID1349312 | Cmax in C57BL/6 mouse at 10 mg/kg, po administered via gavage | 2017 | ACS medicinal chemistry letters, Dec-14, Volume: 8, Issue:12 | Synthesis and Biological Evaluation of a Series of Bile Acid Derivatives as FXR Agonists for Treatment of NASH. |
| AID1633315 | Transactivation of human FXR (unknown origin) expressed in HepG2 cells co-expressing pSG5RXR/pGL4.70 after 24 hrs post transfection by luciferase reporter gene assay | 2019 | ACS medicinal chemistry letters, Apr-11, Volume: 10, Issue:4 | Novel Isoxazole Derivatives with Potent FXR Agonistic Activity Prevent Acetaminophen-Induced Liver Injury. |
| AID441572 | Agonist activity at FXR expressed in COS1 cells by cell-based bioluminescence assay | 2009 | Journal of medicinal chemistry, Dec-24, Volume: 52, Issue:24 | Discovery of 6alpha-ethyl-23(S)-methylcholic acid (S-EMCA, INT-777) as a potent and selective agonist for the TGR5 receptor, a novel target for diabesity. |
| AID297453 | Ratio of EC50 for TGR5 expressed in CHO cells to EC50 for FXR expressed in COS1 cells | 2007 | Journal of medicinal chemistry, Sep-06, Volume: 50, Issue:18 | Nongenomic actions of bile acids. Synthesis and preliminary characterization of 23- and 6,23-alkyl-substituted bile acid derivatives as selective modulators for the G-protein coupled receptor TGR5. |
| AID1349307 | Ratio of drug level in liver to plasma in C57BL/6 mouse at 2 mg/kg, po administered as single cassette dose via gavage measured at 3 hrs post dose | 2017 | ACS medicinal chemistry letters, Dec-14, Volume: 8, Issue:12 | Synthesis and Biological Evaluation of a Series of Bile Acid Derivatives as FXR Agonists for Treatment of NASH. |
| AID297449 | Agonist activity at human TGR5 expressed in CHO cells after 5 hrs by CRE-driven luciferase reporter gene assay relative to lithocholic acid | 2007 | Journal of medicinal chemistry, Sep-06, Volume: 50, Issue:18 | Nongenomic actions of bile acids. Synthesis and preliminary characterization of 23- and 6,23-alkyl-substituted bile acid derivatives as selective modulators for the G-protein coupled receptor TGR5. |
| AID1477476 | Agonist activity at recombinant human GST-tagged FXR ligand binding domain (193 to 472 residues) expressed in baculovirus infected insect cells assessed as induction of interaction with biotin labelled SRC-1 after 1 hr by HTRF assay | 2017 | Journal of medicinal chemistry, 12-28, Volume: 60, Issue:24 | Discovery of Tropifexor (LJN452), a Highly Potent Non-bile Acid FXR Agonist for the Treatment of Cholestatic Liver Diseases and Nonalcoholic Steatohepatitis (NASH). |
| AID1698146 | Anti-hepatosteatosis activity in high-fat,high-fructose-combined CCl4-induced C57BL/6J mouse model of nonalcoholic steatohepatitis assessed as reduction in AST level at 20 mg/kg administered daily via oral gavage for 4 weeks | 2020 | Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21 | Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. |
| AID1059692 | Selectivity ratio of EC50 for TGR5 N93A mutant (unknown origin) to EC50 for wild type TGR5 (unknown origin) | 2013 | ACS medicinal chemistry letters, Dec-12, Volume: 4, Issue:12 | Probing the Binding Site of Bile Acids in TGR5. |
| AID1686057 | Drug metabolism in bile of fistula Wistar-Han rat model assessed as maximum biliary secretion of the administered compound including the secreted taurine conjugates at 60 umol/kg, ID by HPLC-ES-MS/MS analysis | 2016 | Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19 | Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders. |
| AID267785 | Binding affinity to FXR assessed as ligand-dependent SRC1 recruitment by FRET based co-activator assay relative to CDCA | 2006 | Journal of medicinal chemistry, Jul-13, Volume: 49, Issue:14 | Back door modulation of the farnesoid X receptor: design, synthesis, and biological evaluation of a series of side chain modified chenodeoxycholic acid derivatives. |
| AID1349302 | Drug level in C57BL/6 mouse liver at 2 mg/kg, po administered as single cassette dose via gavage measured at 0.5 hrs post dose by LC-MS/MS analysis | 2017 | ACS medicinal chemistry letters, Dec-14, Volume: 8, Issue:12 | Synthesis and Biological Evaluation of a Series of Bile Acid Derivatives as FXR Agonists for Treatment of NASH. |
| AID1686035 | 1-octanol-water partition coefficient, logP of compound as ionized species | 2016 | Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19 | Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders. |
| AID1698125 | Anti-hepatosteatosis activity in high-fat,high-fructose-combined CCl4-induced C57BL/6J mouse model of nonalcoholic steatohepatitis assessed as reduction in steatosis at 20 mg/kg, po administered daily via gavage for 4 weeks by H and E staining based assay | 2020 | Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21 | Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. |
| AID1686060 | Drug metabolism in bile of fistula Wistar-Han rat model assessed as area under the curve of the biliary concentration corrected for the bile volume at 60 umol/kg, iv measured at 4 hrs by HPLC-ES-MS/MS analysis | 2016 | Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19 | Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders. |
| AID592921 | Induction of FXR-mediated BSEP mRNA expression in human HepG2 cells at 1 uM by RT-PCR | 2011 | Bioorganic & medicinal chemistry, Apr-15, Volume: 19, Issue:8 | Extending SAR of bile acids as FXR ligands: discovery of 23-N-(carbocinnamyloxy)-3α,7α-dihydroxy-6α-ethyl-24-nor-5β-cholan-23-amine. |
| AID1698084 | Agonist activity at human TGR5 expressed in HEK293 cells measured after 30 mins by cAMP substrate based assay | 2020 | Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21 | Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. |
| AID1698100 | Toxicity in TAA-induced Sprague-Dawley rat model of liver injury assessed as effect on body weight at 20 mg/kg, ig administered daily for 4 to 8 weeks starting from 4 weeks post-TAA challenge | 2020 | Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21 | Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. |
| AID1349317 | Drug level in C57BL/6 mouse liver at 10 mg/kg, po administered as single dose via gavage measured at 0.5 hrs post dose by LC-MS/MS analysis | 2017 | ACS medicinal chemistry letters, Dec-14, Volume: 8, Issue:12 | Synthesis and Biological Evaluation of a Series of Bile Acid Derivatives as FXR Agonists for Treatment of NASH. |
| AID1686047 | Agonist activity at FXR in human HepG2 cells assessed as induction of OST-alpha mRNA expression at 1 uM by real-time PCR analysis | 2016 | Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19 | Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders. |
| AID1059683 | Agonist activity at TGR5 E169A mutant (unknown origin) | 2013 | ACS medicinal chemistry letters, Dec-12, Volume: 4, Issue:12 | Probing the Binding Site of Bile Acids in TGR5. |
| AID1686033 | Critical micelle concentration in 0.15 M NaCl water solution | 2016 | Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19 | Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders. |
| AID494892 | Reduction in total plasma triglyceride level in db/db mouse at 1-25 mg/kg bid after 12 days | 2010 | Bioorganic & medicinal chemistry letters, Aug-15, Volume: 20, Issue:16 | Synthesis and pharmacological validation of a novel series of non-steroidal FXR agonists. |
| AID1349306 | Ratio of drug level in liver to plasma in C57BL/6 mouse at 2 mg/kg, po administered as single cassette dose via gavage measured at 0.5 hrs post dose | 2017 | ACS medicinal chemistry letters, Dec-14, Volume: 8, Issue:12 | Synthesis and Biological Evaluation of a Series of Bile Acid Derivatives as FXR Agonists for Treatment of NASH. |
| AID1686017 | Agonist activity at TGR5 in human NCI-H716 cells assessed as stimulation of intracellular cAMP accumulation incubated for 60 mins by HTR-FRET assay | 2016 | Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19 | Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders. |
| AID1698105 | Antifibrotic activity in TAA-induced Sprague-Dawley rat model of liver injury assessed as reduction in alpha-sma mRNA expression at 20 mg/kg, ig administered daily for 4 to 8 weeks starting from 4 weeks post-TAA challenge measured 24 hrs post last dose by | 2020 | Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21 | Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. |
| AID1349295 | Agonist activity at recombinant human GST-tagged FXR LBD (193 to 472 residues) expressed in baculovirus-infected insect cells assessed as recruitment of biotinylated SRC1 peptide measured after 1 hr by Alphascreen assay | 2017 | ACS medicinal chemistry letters, Dec-14, Volume: 8, Issue:12 | Synthesis and Biological Evaluation of a Series of Bile Acid Derivatives as FXR Agonists for Treatment of NASH. |
| AID1686045 | Agonist activity at FXR in human HepG2 cells assessed as induction of SHP mRNA expression at 1 uM by real-time PCR analysis | 2016 | Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19 | Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders. |
| AID1446797 | Agonist activity at FXR (unknown origin) assessed as recruitment of SRC1 peptide to FXR by FRET assay | 2017 | Journal of medicinal chemistry, 07-13, Volume: 60, Issue:13 | Opportunities and Challenges for Fatty Acid Mimetics in Drug Discovery. |
| AID1059685 | Selectivity ratio of EC50 for TGR5 S270A mutant (unknown origin) to EC50 for wild type TGR5 (unknown origin) | 2013 | ACS medicinal chemistry letters, Dec-12, Volume: 4, Issue:12 | Probing the Binding Site of Bile Acids in TGR5. |
| AID1451490 | Transactivation of FXR in human HepG2 cells assessed as BSEP mRNA expression at 1 uM after 8 to 16 hrs by SYBR green based qRT-PCR analysis relative to DMSO control | 2017 | Journal of medicinal chemistry, 09-28, Volume: 60, Issue:18 | A Dual Modulator of Farnesoid X Receptor and Soluble Epoxide Hydrolase To Counter Nonalcoholic Steatohepatitis. |
| AID1698103 | Antifibrotic activity in TAA-induced Sprague-Dawley rat model of liver injury assessed as reduction in liver collagen deposit at 20 mg/kg, ig administered daily for 4 to 8 weeks starting from 4 weeks post-TAA challenge measured 24 hrs post last dose by si | 2020 | Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21 | Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. |
| AID1349323 | Drug level in C57BL/6 mouse plasma at 10 mg/kg, po administered as single dose via gavage measured at 0.5 hrs post dose by LC-MS/MS analysis | 2017 | ACS medicinal chemistry letters, Dec-14, Volume: 8, Issue:12 | Synthesis and Biological Evaluation of a Series of Bile Acid Derivatives as FXR Agonists for Treatment of NASH. |
| AID1698126 | Anti-hepatosteatosis activity in high-fat,high-fructose-combined CCl4-induced C57BL/6J mouse model of nonalcoholic steatohepatitis assessed as reduction in lobular inflammation at 20 mg/kg, po administered daily via gavage for 4 weeks by H and E staining | 2020 | Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21 | Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. |
| AID494895 | Plasma concentration in db/db mouse at 25 mg/kg bid after 4 hrs by LC/MS-MS analysis | 2010 | Bioorganic & medicinal chemistry letters, Aug-15, Volume: 20, Issue:16 | Synthesis and pharmacological validation of a novel series of non-steroidal FXR agonists. |
| AID1698148 | Anti-hepatosteatosis activity in high-fat,high-fructose-combined CCl4-induced C57BL/6J mouse model of nonalcoholic steatohepatitis assessed as reduction in hepatic triglyceride level at 20 mg/kg administered daily via oral gavage for 4 weeks | 2020 | Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21 | Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. |
| AID1451547 | Transactivation of FXR in human HepG2 cells assessed as FGF19 mRNA expression at 1 uM after 8 to 16 hrs by SYBR green based qRT-PCR analysis relative to DMSO control | 2017 | Journal of medicinal chemistry, 09-28, Volume: 60, Issue:18 | A Dual Modulator of Farnesoid X Receptor and Soluble Epoxide Hydrolase To Counter Nonalcoholic Steatohepatitis. |
| AID1451533 | Transactivation of FXR in human HepG2 cells assessed as CYP7A1 mRNA expression at 1 uM after 8 to 16 hrs by SYBR green based qRT-PCR analysis relative to DMSO control | 2017 | Journal of medicinal chemistry, 09-28, Volume: 60, Issue:18 | A Dual Modulator of Farnesoid X Receptor and Soluble Epoxide Hydrolase To Counter Nonalcoholic Steatohepatitis. |
| AID1349304 | Drug level in C57BL/6 mouse plasma at 2 mg/kg, po administered as single dose via gavage measured at 0.5 hrs post dose by LC-MS/MS analysis | 2017 | ACS medicinal chemistry letters, Dec-14, Volume: 8, Issue:12 | Synthesis and Biological Evaluation of a Series of Bile Acid Derivatives as FXR Agonists for Treatment of NASH. |
| AID1686034 | Surface tension value in 0.15 M NaCl water solution | 2016 | Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19 | Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders. |
| AID240068 | Activation of human farnesoid X receptor | 2005 | Journal of medicinal chemistry, Aug-25, Volume: 48, Issue:17 | Farnesoid X receptor: from structure to potential clinical applications. |
| AID1349293 | Anti-hepatic steatosis activity in HFD/CCl4-induced non-alcoholic hepatic steatosis C57BL/6 mouse model assessed as reduction in liver fibrosis at 30 mg/kg, po administered once daily via gavage for 28 days measured at post last dose by sirus red staining | 2017 | ACS medicinal chemistry letters, Dec-14, Volume: 8, Issue:12 | Synthesis and Biological Evaluation of a Series of Bile Acid Derivatives as FXR Agonists for Treatment of NASH. |
| AID72526 | Effective concentration against Farnesoid X receptor (FXR) | 2002 | Journal of medicinal chemistry, Aug-15, Volume: 45, Issue:17 | 6alpha-ethyl-chenodeoxycholic acid (6-ECDCA), a potent and selective FXR agonist endowed with anticholestatic activity. |
| AID1604913 | Agonist activity at FXR transfected in human HEK293T cells o-expressing pGL3/hBSEP/luc incubated for 24 hrs by Steady-Glo reagent based luciferase reporter gene assay relative to GW4064 | 2020 | Journal of medicinal chemistry, 04-23, Volume: 63, Issue:8 | Nidufexor (LMB763), a Novel FXR Modulator for the Treatment of Nonalcoholic Steatohepatitis. |
| AID592919 | Induction of FXR-mediated SHP mRNA expression in human HepG2 cells at 1 uM by RT-PCR | 2011 | Bioorganic & medicinal chemistry, Apr-15, Volume: 19, Issue:8 | Extending SAR of bile acids as FXR ligands: discovery of 23-N-(carbocinnamyloxy)-3α,7α-dihydroxy-6α-ethyl-24-nor-5β-cholan-23-amine. |
| AID1349308 | AUC in C57BL/6 mouse at 10 mg/kg, po administered via gavage | 2017 | ACS medicinal chemistry letters, Dec-14, Volume: 8, Issue:12 | Synthesis and Biological Evaluation of a Series of Bile Acid Derivatives as FXR Agonists for Treatment of NASH. |
| AID494896 | Plasma concentration in db/db mouse at 25 mg/kg bid after 24 hrs by LC/MS-MS analysis | 2010 | Bioorganic & medicinal chemistry letters, Aug-15, Volume: 20, Issue:16 | Synthesis and pharmacological validation of a novel series of non-steroidal FXR agonists. |
| AID1686061 | Drug metabolism in bile of fistula Wistar-Han rat model assessed as area under the curve of the biliary concentration corrected for the bile volume at 60 umol/kg, ID measured at 4 hrs by HPLC-ES-MS/MS analysis | 2016 | Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19 | Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders. |
| AID1698121 | Toxicity in high-fat,high-fructose-combined CCl4-induced C57BL/6J mouse model of liver injury assessed as effect on food intake at 20 mg/kg, po administered daily via gavage for 4 weeks | 2020 | Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21 | Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. |
| AID297451 | Agonist activity at human FXR expressed in COS1 cells after 5 hrs by CRE-driven luciferase reporter gene assay | 2007 | Journal of medicinal chemistry, Sep-06, Volume: 50, Issue:18 | Nongenomic actions of bile acids. Synthesis and preliminary characterization of 23- and 6,23-alkyl-substituted bile acid derivatives as selective modulators for the G-protein coupled receptor TGR5. |
| AID1451540 | Transactivation of FXR in human HepG2 cells assessed as SREBP1c mRNA expression at 1 uM after 8 to 16 hrs by SYBR green based qRT-PCR analysis relative to DMSO control | 2017 | Journal of medicinal chemistry, 09-28, Volume: 60, Issue:18 | A Dual Modulator of Farnesoid X Receptor and Soluble Epoxide Hydrolase To Counter Nonalcoholic Steatohepatitis. |
| AID1686046 | Agonist activity at FXR in human HepG2 cells assessed as reduction of CYP7A1 mRNA expression at 1 uM by real-time PCR analysis | 2016 | Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19 | Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders. |
| AID1604978 | Anti Steato-hepatitic activity in STZ/HFD induced C57BL/6J mouse STAM model assessed as reduction in NAS at 25 mg/kg, po administered via oral gavage once daily for 3 weeks and measured on 9 week by H and E staining based assay | 2020 | Journal of medicinal chemistry, 04-23, Volume: 63, Issue:8 | Nidufexor (LMB763), a Novel FXR Modulator for the Treatment of Nonalcoholic Steatohepatitis. |
| AID1138173 | Agonist activity at GP-BAR1 in mouse GLUTag cells assessed as increase in intracellular cAMP level | 2014 | Journal of medicinal chemistry, Feb-13, Volume: 57, Issue:3 | Design, synthesis, and biological evaluation of potent dual agonists of nuclear and membrane bile acid receptors. |
| AID1698086 | Agonist activity at GST-tagged human RXR assessed as induction of biotinylated coactivator SRC-1 peptide recruitment measured after 2 hrs by streptavidin-conjugated AlphaScreen assay | 2020 | Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21 | Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. |
| AID1138176 | Upregulation of BESP mRNA expression in mouse primary hepatocytes isolated from FXR deficient mouse | 2014 | Journal of medicinal chemistry, Feb-13, Volume: 57, Issue:3 | Design, synthesis, and biological evaluation of potent dual agonists of nuclear and membrane bile acid receptors. |
| AID1451560 | Inhibition of sEH in human HepG2 cells assessed as NF-kappaB mRNA expression at 1 uM after 8 to 16 hrs by SYBR green based qRT-PCR analysis relative to DMSO control | 2017 | Journal of medicinal chemistry, 09-28, Volume: 60, Issue:18 | A Dual Modulator of Farnesoid X Receptor and Soluble Epoxide Hydrolase To Counter Nonalcoholic Steatohepatitis. |
| AID1458348 | Cytotoxicity against human HepG2 cells at 50 uM after 48 hrs by WST-1 assay | 2017 | Journal of medicinal chemistry, 08-24, Volume: 60, Issue:16 | Nonacidic Farnesoid X Receptor Modulators. |
| AID1059684 | Agonist activity at TGR5 N93A mutant (unknown origin) | 2013 | ACS medicinal chemistry letters, Dec-12, Volume: 4, Issue:12 | Probing the Binding Site of Bile Acids in TGR5. |
| AID592922 | Induction of FXR-mediated Ostbeta mRNA expression in human HepG2 cells at 20 uM by RT-PCR | 2011 | Bioorganic & medicinal chemistry, Apr-15, Volume: 19, Issue:8 | Extending SAR of bile acids as FXR ligands: discovery of 23-N-(carbocinnamyloxy)-3α,7α-dihydroxy-6α-ethyl-24-nor-5β-cholan-23-amine. |
| AID1232938 | Agonist activity at human full length FXR expressed in HeLa cells cotransfected with pSG5-human RXR after 24 hrs by Dual-Glo luciferase reporter gene assay | 2015 | Bioorganic & medicinal chemistry, Jul-01, Volume: 23, Issue:13 | Fragmentation of GW4064 led to a highly potent partial farnesoid X receptor agonist with improved drug-like properties. |
| AID1686051 | In-vivo activation of FXR in C57BL/3 mouse assessed as reduction in intestinal Cyp7a1 mRNA expression at 10 mg/kg/day, po for 5 days by quantitative real time qRT-PCR analysis | 2016 | Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19 | Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders. |
| AID1138162 | Transactivation of human FXR transfected in human HepG2 cells at 10 uM by beta-galactosidase reporter gene assay | 2014 | Journal of medicinal chemistry, Feb-13, Volume: 57, Issue:3 | Design, synthesis, and biological evaluation of potent dual agonists of nuclear and membrane bile acid receptors. |
| AID1349305 | Drug level in C57BL/6 mouse plasma at 2 mg/kg, po administered as single cassette dose via gavage measured at 3 hrs post dose by LC-MS/MS analysis | 2017 | ACS medicinal chemistry letters, Dec-14, Volume: 8, Issue:12 | Synthesis and Biological Evaluation of a Series of Bile Acid Derivatives as FXR Agonists for Treatment of NASH. |
| AID1349303 | Drug level in C57BL/6 mouse liver at 2 mg/kg, po administered as single cassette dose via gavage measured at 3 hrs post dose by LC-MS/MS analysis | 2017 | ACS medicinal chemistry letters, Dec-14, Volume: 8, Issue:12 | Synthesis and Biological Evaluation of a Series of Bile Acid Derivatives as FXR Agonists for Treatment of NASH. |
| AID1698085 | Agonist activity at GST-tagged human LXR assessed as induction of biotinylated coactivator SRC-1 peptide recruitment measured after 2 hrs by streptavidin-conjugated AlphaScreen assay | 2020 | Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21 | Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. |
| AID1059688 | Selectivity ratio of EC50 for TGR5 Y89A mutant (unknown origin) to EC50 for wild type TGR5 (unknown origin) | 2013 | ACS medicinal chemistry letters, Dec-12, Volume: 4, Issue:12 | Probing the Binding Site of Bile Acids in TGR5. |
| AID592914 | Agonist activity at human GST-fused FXR LBD assessed as coactivator interaction with receptor ligand binding domain by Alphascreen assay relative to CDCA | 2011 | Bioorganic & medicinal chemistry, Apr-15, Volume: 19, Issue:8 | Extending SAR of bile acids as FXR ligands: discovery of 23-N-(carbocinnamyloxy)-3α,7α-dihydroxy-6α-ethyl-24-nor-5β-cholan-23-amine. |
| AID1698149 | Anti-hepatosteatosis activity in high-fat,high-fructose-combined CCl4-induced C57BL/6J mouse model of nonalcoholic steatohepatitis assessed as reduction in liver collagen deposition at 20 mg/kg administered daily via oral gavage for 4 weeks by sirius stai | 2020 | Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21 | Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. |
| AID1138170 | Agonist activity at FXR in human HepG2 cells assessed as upregulation of SHP mRNA expression at 10 uM after 18 hrs by RT-PCR analysis | 2014 | Journal of medicinal chemistry, Feb-13, Volume: 57, Issue:3 | Design, synthesis, and biological evaluation of potent dual agonists of nuclear and membrane bile acid receptors. |
| AID1686015 | Agonist activity at glutathione transferase-tagged human FXR-LBD using biotinylated Src-1 peptide incubated for 30 mins by recruitment coactivator assay | 2016 | Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19 | Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders. |
| AID1166179 | Agonist activity at FXR (unknown origin) by coactivator recruitment assay | 2014 | Journal of medicinal chemistry, Oct-09, Volume: 57, Issue:19 | Extending the structure-activity relationship of anthranilic acid derivatives as farnesoid X receptor modulators: development of a highly potent partial farnesoid X receptor agonist. |
| AID1698111 | Antifibrotic activity in CCl4-induced C57BL/6J mouse model of liver injury assessed as reduction in portal/periportal fibrosis administered daily via oral gavage for 6 weeks measured 48 hrs post last dose by sirus staining based assay | 2020 | Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21 | Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. |
| AID1059690 | Agonist activity at wild type TGR5 (unknown origin) | 2013 | ACS medicinal chemistry letters, Dec-12, Volume: 4, Issue:12 | Probing the Binding Site of Bile Acids in TGR5. |
| AID1633316 | Aqueous solubility of compound in phosphate buffer at pH 7.4//MeOH after 24 hrs by LC-MS/MS method | 2019 | ACS medicinal chemistry letters, Apr-11, Volume: 10, Issue:4 | Novel Isoxazole Derivatives with Potent FXR Agonistic Activity Prevent Acetaminophen-Induced Liver Injury. |
| AID1477583 | Agonist activity at human TGR5 relative to control | 2017 | Journal of medicinal chemistry, 12-28, Volume: 60, Issue:24 | Discovery of Tropifexor (LJN452), a Highly Potent Non-bile Acid FXR Agonist for the Treatment of Cholestatic Liver Diseases and Nonalcoholic Steatohepatitis (NASH). |
| AID1349309 | AUC in C57BL/6 mouse assessed as glyco-INT-747 level at 10 mg/kg, po administered via gavage | 2017 | ACS medicinal chemistry letters, Dec-14, Volume: 8, Issue:12 | Synthesis and Biological Evaluation of a Series of Bile Acid Derivatives as FXR Agonists for Treatment of NASH. |
| AID1059682 | Agonist activity at TGR5 N93D mutant (unknown origin) | 2013 | ACS medicinal chemistry letters, Dec-12, Volume: 4, Issue:12 | Probing the Binding Site of Bile Acids in TGR5. |
| AID1138174 | Agonist activity at GP-BAR1 in mouse GLUTag cells assessed as increase in GLP-1 release | 2014 | Journal of medicinal chemistry, Feb-13, Volume: 57, Issue:3 | Design, synthesis, and biological evaluation of potent dual agonists of nuclear and membrane bile acid receptors. |
| AID1349328 | Ratio of drug level in C57BL/6 mouse liver to plasma at 10 mg/kg, po administered as single dose via gavage measured at 3 hrs post dose by LC-MS/MS analysis | 2017 | ACS medicinal chemistry letters, Dec-14, Volume: 8, Issue:12 | Synthesis and Biological Evaluation of a Series of Bile Acid Derivatives as FXR Agonists for Treatment of NASH. |
| AID1138175 | Agonist activity at FXR in mouse primary hepatocytes assessed as upregulation of BESP mRNA expression | 2014 | Journal of medicinal chemistry, Feb-13, Volume: 57, Issue:3 | Design, synthesis, and biological evaluation of potent dual agonists of nuclear and membrane bile acid receptors. |
| AID1686049 | In-vivo activation of FXR in C57BL/3 mouse assessed as increase in intestinal Shp mRNA expression at 10 mg/kg/day, po for 5 days by quantitative real time qRT-PCR analysis | 2016 | Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19 | Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders. |
| AID1349337 | Drug metabolism in mouse assessed as ratio of tauro-INT-747 level in liver to plasma at 30 mg/kg, po administered via gavage for 7 days followed by 12 hrs fasting | 2017 | ACS medicinal chemistry letters, Dec-14, Volume: 8, Issue:12 | Synthesis and Biological Evaluation of a Series of Bile Acid Derivatives as FXR Agonists for Treatment of NASH. |
| AID1546885 | Agonist activity at FXR (unknown origin) | 2020 | Journal of medicinal chemistry, 05-28, Volume: 63, Issue:10 | The Race to Bash NASH: Emerging Targets and Drug Development in a Complex Liver Disease. |
| AID1698077 | Agonist activity at human FXR expressed in HEK293 cells measured after 18 hrs by steady-glo luciferase reporter gene assay | 2020 | Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21 | Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. |
| AID1059679 | Agonist activity at TGR5 S270A mutant (unknown origin) | 2013 | ACS medicinal chemistry letters, Dec-12, Volume: 4, Issue:12 | Probing the Binding Site of Bile Acids in TGR5. |
| AID1349300 | Agonist activity at human TGR5 expressed in HEK293 cells assessed as increase in intracellular cAMP level after 1 hr by TR-FRET assay relative to 10 uM LCA | 2017 | ACS medicinal chemistry letters, Dec-14, Volume: 8, Issue:12 | Synthesis and Biological Evaluation of a Series of Bile Acid Derivatives as FXR Agonists for Treatment of NASH. |
| AID1698155 | Anti-hepatosteatosis activity in high-fat,high-fructose-combined CCl4-induced C57BL/6J mouse model of nonalcoholic steatohepatitis assessed as reduction in Il-1b mRNA expression at 20 mg/kg administered daily via oral gavage for 4 weeks by SYBR green dye | 2020 | Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21 | Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. |
| AID592916 | Agonist activity at human FXR expressed in HepG2 cells assessed as renilla luciferase activity at 20 uM by luciferase based transactivation assay | 2011 | Bioorganic & medicinal chemistry, Apr-15, Volume: 19, Issue:8 | Extending SAR of bile acids as FXR ligands: discovery of 23-N-(carbocinnamyloxy)-3α,7α-dihydroxy-6α-ethyl-24-nor-5β-cholan-23-amine. |
| AID592917 | Agonist activity at human TGR5 receptor expressed in NCI-H716 cells assessed as intracellular cAMP level by TR-FRET assay | 2011 | Bioorganic & medicinal chemistry, Apr-15, Volume: 19, Issue:8 | Extending SAR of bile acids as FXR ligands: discovery of 23-N-(carbocinnamyloxy)-3α,7α-dihydroxy-6α-ethyl-24-nor-5β-cholan-23-amine. |
| AID1698099 | Induction of liver hypertrophy in TAA-induced Sprague-Dawley rat model of liver injury at 20 mg/kg, ig administered daily for 4 weeks starting from 4 weeks post-TAA challenge | 2020 | Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21 | Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. |
| AID1349296 | Agonist activity at recombinant human GST-tagged FXR LBD (193 to 472 residues) expressed in baculovirus-infected insect cells assessed as recruitment of biotinylated SRC1 peptide measured after 1 hr by Alphascreen assay relative to CDCA | 2017 | ACS medicinal chemistry letters, Dec-14, Volume: 8, Issue:12 | Synthesis and Biological Evaluation of a Series of Bile Acid Derivatives as FXR Agonists for Treatment of NASH. |
| AID1604910 | Agonist activity at GST-tagged human FXR-LBD (193 to 472 residues) using biotinylated SRC-1 peptide as substrate incubated for 1 hrs by HTRF assay | 2020 | Journal of medicinal chemistry, 04-23, Volume: 63, Issue:8 | Nidufexor (LMB763), a Novel FXR Modulator for the Treatment of Nonalcoholic Steatohepatitis. |
| AID1698101 | Antifibrotic activity in TAA-induced Sprague-Dawley rat model of liver injury assessed as reduction in serum ALP level at 20 mg/kg, ig administered daily for 4 to 8 weeks starting from 4 weeks post-TAA challenge measured 24 hrs post last dose | 2020 | Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21 | Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. |
| AID1698156 | Anti-hepatosteatosis activity in high-fat,high-fructose-combined CCl4-induced C57BL/6J mouse model of nonalcoholic steatohepatitis assessed as reduction in Ccl2 mRNA expression at 20 mg/kg administered daily via oral gavage for 4 weeks by SYBR green dye b | 2020 | Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21 | Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. |
| AID243397 | Efficacy for human Farnesoid X receptor in FRET assay | 2004 | Journal of medicinal chemistry, Aug-26, Volume: 47, Issue:18 | Bile acid derivatives as ligands of the farnesoid X receptor. Synthesis, evaluation, and structure-activity relationship of a series of body and side chain modified analogues of chenodeoxycholic acid. |
| AID1059691 | Selectivity ratio of EC50 for TGR5 N93D mutant (unknown origin) to EC50 for wild type TGR5 (unknown origin) | 2013 | ACS medicinal chemistry letters, Dec-12, Volume: 4, Issue:12 | Probing the Binding Site of Bile Acids in TGR5. |
| AID1458345 | Lipophilicity, logD of compound at pH 7.4 by LC-MS analysis | 2017 | Journal of medicinal chemistry, 08-24, Volume: 60, Issue:16 | Nonacidic Farnesoid X Receptor Modulators. |
| AID1138172 | Agonist activity at FXR in human HepG2 cells assessed as upregulation of BESP mRNA expression at 10 uM after 18 hrs by RT-PCR analysis | 2014 | Journal of medicinal chemistry, Feb-13, Volume: 57, Issue:3 | Design, synthesis, and biological evaluation of potent dual agonists of nuclear and membrane bile acid receptors. |
| AID1686050 | In-vivo activation of FXR in C57BL/3 mouse assessed as increase in intestinal Ang1 mRNA expression at 10 mg/kg/day, po for 5 days by quantitative real time qRT-PCR analysis | 2016 | Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19 | Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders. |
| AID592913 | Agonist activity at human GST-fused FXR LBD assessed as coactivator interaction with receptor ligand binding domain by Alphascreen assay | 2011 | Bioorganic & medicinal chemistry, Apr-15, Volume: 19, Issue:8 | Extending SAR of bile acids as FXR ligands: discovery of 23-N-(carbocinnamyloxy)-3α,7α-dihydroxy-6α-ethyl-24-nor-5β-cholan-23-amine. |
| AID1698110 | Antifibrotic activity in CCl4-induced C57BL/6J mouse model of liver injury assessed as reduction in perisinusoidal-fibrosis administered daily via oral gavage for 6 weeks measured 48 hrs post last dose by sirus staining based assay | 2020 | Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21 | Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. |
| AID1633317 | Intrinsic clearance in CD1 mouse liver microsomes at 1 uM up to 40 mins by LC-MS/MS method | 2019 | ACS medicinal chemistry letters, Apr-11, Volume: 10, Issue:4 | Novel Isoxazole Derivatives with Potent FXR Agonistic Activity Prevent Acetaminophen-Induced Liver Injury. |
| AID1059686 | Selectivity ratio of EC50 for TGR5 Y89F mutant (unknown origin) to EC50 for wild type TGR5 (unknown origin) | 2013 | ACS medicinal chemistry letters, Dec-12, Volume: 4, Issue:12 | Probing the Binding Site of Bile Acids in TGR5. |
| AID1686044 | Agonist activity at FXR in human HepG2 cells assessed as induction of BSEP mRNA expression at 1 uM by real-time PCR analysis | 2016 | Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19 | Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders. |
| AID1059689 | Selectivity ratio of EC50 for TGR5 E169A mutant (unknown origin) to EC50 for wild type TGR5 (unknown origin) | 2013 | ACS medicinal chemistry letters, Dec-12, Volume: 4, Issue:12 | Probing the Binding Site of Bile Acids in TGR5. |
| AID1477477 | Agonist activity at recombinant human GST-tagged FXR ligand binding domain (193 to 472 residues) expressed in baculovirus infected insect cells assessed as induction of interaction with biotin labelled SRC-1 after 1 hr by HTRF assay relative to GW4064 | 2017 | Journal of medicinal chemistry, 12-28, Volume: 60, Issue:24 | Discovery of Tropifexor (LJN452), a Highly Potent Non-bile Acid FXR Agonist for the Treatment of Cholestatic Liver Diseases and Nonalcoholic Steatohepatitis (NASH). |
| AID1349327 | Ratio of drug level in C57BL/6 mouse liver to plasma at 10 mg/kg, po administered as single dose via gavage measured at 0.5 hrs post dose by LC-MS/MS analysis | 2017 | ACS medicinal chemistry letters, Dec-14, Volume: 8, Issue:12 | Synthesis and Biological Evaluation of a Series of Bile Acid Derivatives as FXR Agonists for Treatment of NASH. |
| AID1511003 | Hepatoprotective activity in Sprague-Dawley rat assessed as reduction in ANIT-stimulated fibrosis area at 20 mg/kg, ig administered for 8 days by hematoxylin and eosin staining based mopho-metric analysis | 2019 | ACS medicinal chemistry letters, Jul-11, Volume: 10, Issue:7 | Discovery of a Novel Selective Dual Peroxisome Proliferator-Activated Receptor α/δ Agonist for the Treatment of Primary Biliary Cirrhosis. |
| AID1477585 | Agonist activity at mouse TGR5 relative to control | 2017 | Journal of medicinal chemistry, 12-28, Volume: 60, Issue:24 | Discovery of Tropifexor (LJN452), a Highly Potent Non-bile Acid FXR Agonist for the Treatment of Cholestatic Liver Diseases and Nonalcoholic Steatohepatitis (NASH). |
| AID1349313 | Cmax in C57BL/6 mouse assessed as glyco-INT-747 level at 10 mg/kg, po administered via gavage | 2017 | ACS medicinal chemistry letters, Dec-14, Volume: 8, Issue:12 | Synthesis and Biological Evaluation of a Series of Bile Acid Derivatives as FXR Agonists for Treatment of NASH. |
| AID1165600 | Toxicity in GP-BAR1+/+ C57BL/6NCrl mouse with 9 day ANIT treatment-induded cholestasis assessed as induction of itching at 35 ug dosed intradermally and measured for 60 mins on day 11 | 2014 | Journal of medicinal chemistry, Oct-23, Volume: 57, Issue:20 | Exploitation of cholane scaffold for the discovery of potent and selective farnesoid X receptor (FXR) and G-protein coupled bile acid receptor 1 (GP-BAR1) ligands. |
| AID1698109 | Antifibrotic activity in CCl4-induced C57BL/6J mouse model of liver injury assessed as reduction in AST level at 20 mg/kg, po administered daily via gavage for 6 weeks measured 48 hrs post last dose | 2020 | Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21 | Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. |
| AID592924 | Induction of FXR-mediated down-regulation of Cyp7A1 mRNA expression in human HepG2 cells at 1 uM by RT-PCR | 2011 | Bioorganic & medicinal chemistry, Apr-15, Volume: 19, Issue:8 | Extending SAR of bile acids as FXR ligands: discovery of 23-N-(carbocinnamyloxy)-3α,7α-dihydroxy-6α-ethyl-24-nor-5β-cholan-23-amine. |
| AID240176 | Binding affinity for human Farnesoid X receptor in FRET assay | 2004 | Journal of medicinal chemistry, Aug-26, Volume: 47, Issue:18 | Bile acid derivatives as ligands of the farnesoid X receptor. Synthesis, evaluation, and structure-activity relationship of a series of body and side chain modified analogues of chenodeoxycholic acid. |
| AID1686032 | Solubility in water measured for protonated species | 2016 | Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19 | Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders. |
| AID592918 | Induction of FXR-mediated SHP mRNA expression in human HepG2 cells at 20 uM by RT-PCR | 2011 | Bioorganic & medicinal chemistry, Apr-15, Volume: 19, Issue:8 | Extending SAR of bile acids as FXR ligands: discovery of 23-N-(carbocinnamyloxy)-3α,7α-dihydroxy-6α-ethyl-24-nor-5β-cholan-23-amine. |
| AID1698147 | Anti-hepatosteatosis activity in high-fat,high-fructose-combined CCl4-induced C57BL/6J mouse model of nonalcoholic steatohepatitis assessed as reduction in hepatic total cholesterol level at 20 mg/kg administered daily via oral gavage for 4 weeks | 2020 | Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21 | Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. |
| AID494893 | Reduction in total plasma cholesterol level in db/db mouse at 1-25 mg/kg bid after 12 days | 2010 | Bioorganic & medicinal chemistry letters, Aug-15, Volume: 20, Issue:16 | Synthesis and pharmacological validation of a novel series of non-steroidal FXR agonists. |
| AID72525 | Binding affinity for Farnesoid X Receptor (FXR) | 2003 | Bioorganic & medicinal chemistry letters, Jun-02, Volume: 13, Issue:11 | Binding mode of 6ECDCA, a potent bile acid agonist of the farnesoid X receptor (FXR). |
| AID592925 | Induction of FXR-mediated down-regulation of Cyp7A1 mRNA expression in human HepG2 cells at 20 uM by RT-PCR | 2011 | Bioorganic & medicinal chemistry, Apr-15, Volume: 19, Issue:8 | Extending SAR of bile acids as FXR ligands: discovery of 23-N-(carbocinnamyloxy)-3α,7α-dihydroxy-6α-ethyl-24-nor-5β-cholan-23-amine. |
| AID592920 | Induction of FXR-mediated BSEP mRNA expression in human HepG2 cells at 20 uM by RT-PCR | 2011 | Bioorganic & medicinal chemistry, Apr-15, Volume: 19, Issue:8 | Extending SAR of bile acids as FXR ligands: discovery of 23-N-(carbocinnamyloxy)-3α,7α-dihydroxy-6α-ethyl-24-nor-5β-cholan-23-amine. |
| AID1477584 | Agonist activity at mouse TGR5 | 2017 | Journal of medicinal chemistry, 12-28, Volume: 60, Issue:24 | Discovery of Tropifexor (LJN452), a Highly Potent Non-bile Acid FXR Agonist for the Treatment of Cholestatic Liver Diseases and Nonalcoholic Steatohepatitis (NASH). |
| AID1686036 | Binding affinity to human serum albumin | 2016 | Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19 | Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders. |
| AID1511002 | Hepatoprotective activity in Sprague-Dawley rat assessed as reduction in ANIT-stimulated inflammatory score at 20 mg/kg, ig administered for 8 days by hematoxylin and eosin staining based mopho-metric analysis | 2019 | ACS medicinal chemistry letters, Jul-11, Volume: 10, Issue:7 | Discovery of a Novel Selective Dual Peroxisome Proliferator-Activated Receptor α/δ Agonist for the Treatment of Primary Biliary Cirrhosis. |
| AID1059678 | Agonist activity at TGR5 N76A mutant (unknown origin) | 2013 | ACS medicinal chemistry letters, Dec-12, Volume: 4, Issue:12 | Probing the Binding Site of Bile Acids in TGR5. |
| AID1059680 | Agonist activity at TGR5 Y89A mutant (unknown origin) | 2013 | ACS medicinal chemistry letters, Dec-12, Volume: 4, Issue:12 | Probing the Binding Site of Bile Acids in TGR5. |
| AID1698106 | Antifibrotic activity in TAA-induced Sprague-Dawley rat model of liver injury assessed as reduction in hepatic hydroxyproline content at 20 mg/kg, ig administered daily for 4 to 8 weeks starting from 4 weeks post-TAA challenge measured 24 hrs post last do | 2020 | Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21 | Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. |
| AID1798108 | TGR5 Activity Assay from Article 10.1021/jm070633p: \\Nongenomic actions of bile acids. Synthesis and preliminary characterization of 23- and 6,23-alkyl-substituted bile acid derivatives as selective modulators for the G-protein coupled receptor TGR5.\\ | 2007 | Journal of medicinal chemistry, Sep-06, Volume: 50, Issue:18 | Nongenomic actions of bile acids. Synthesis and preliminary characterization of 23- and 6,23-alkyl-substituted bile acid derivatives as selective modulators for the G-protein coupled receptor TGR5. |
| AID1798109 | FXR Activity Assay from Article 10.1021/jm070633p: \\Nongenomic actions of bile acids. Synthesis and preliminary characterization of 23- and 6,23-alkyl-substituted bile acid derivatives as selective modulators for the G-protein coupled receptor TGR5.\\ | 2007 | Journal of medicinal chemistry, Sep-06, Volume: 50, Issue:18 | Nongenomic actions of bile acids. Synthesis and preliminary characterization of 23- and 6,23-alkyl-substituted bile acid derivatives as selective modulators for the G-protein coupled receptor TGR5. |
| AID1346766 | Human Farnesoid X receptor (1H. Liver X receptor-like receptors) | 2002 | Journal of medicinal chemistry, Aug-15, Volume: 45, Issue:17 | 6alpha-ethyl-chenodeoxycholic acid (6-ECDCA), a potent and selective FXR agonist endowed with anticholestatic activity. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 0 (0.00) | 18.2507 |
| 2000's | 15 (4.42) | 29.6817 |
| 2010's | 222 (65.49) | 24.3611 |
| 2020's | 102 (30.09) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be very strong demand-to-supply ratio for research on this compound.
| This Compound (72.77) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 27 (7.76%) | 5.53% |
| Reviews | 106 (30.46%) | 6.00% |
| Case Studies | 3 (0.86%) | 4.05% |
| Observational | 2 (0.57%) | 0.25% |
| Other | 210 (60.34%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||