methyl cholate: RN given refers to (3 alpha,5 beta,7 alpha,12 alpha)-isomer [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
| ID Source | ID |
|---|---|
| PubMed CID | 10960835 |
| CHEMBL ID | 1078052 |
| CHEBI ID | 177012 |
| SCHEMBL ID | 338241 |
| MeSH ID | M0112333 |
| Synonym |
|---|
| CHEBI:177012 |
| methyl (4r)-4-[(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoate |
| nsc-126794 |
| 1448-36-8 |
| methyl cholate |
| cholic acid methyl ester |
| cholic acid, methyl ester |
| CHEMBL1078052 |
| methyl (4s)-4-[(3s,5r,7s,8r,9s,10s,12s,13r,14s,17s)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoate |
| methyl 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-ate |
| ec 215-903-7 |
| e1p59hqx4q , |
| nsc 126794 |
| unii-e1p59hqx4q |
| einecs 215-903-7 |
| S3994 |
| AKOS016009904 |
| methyl cholate, (+)- |
| cholan-24-oic acid, 3,7,12-trihydroxy-, methyl ester, (3.alpha.,5.beta.,7.alpha.,12.alpha.) |
| methyl 3.alpha.,7.alpha.,12.alpha.-trihydroxy-5.beta.-cholanoate |
| bdbm50442869 |
| SCHEMBL338241 |
| methyl 3.alpha.,7.alpha.,12.alpha.-trihydroxy-5.beta.-cholanate |
| methyl 3.alpha.,7.alpha.,12.alpha.-trihydroxy-5.beta.-cholan-24-oate |
| methyl 3,7,12-trihydroxycholan-24-oate # |
| cholan-24-oic acid, 3,7,12-trihydroxy-, methyl ester, (3.alpha.,5.beta.,7.alpha.,12.alpha.)- |
| mfcd00064934 |
| 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oic acid methyl ester |
| J-008013 |
| cholan-24-oic acid, 3,7,12-trihydroxy-, methyl ester, (3alpha,5beta,7alpha,12alpha)- |
| HY-107830 |
| 5beta-cholanic acid-3alpha,7alpha,12alpha-triol methyl ester |
| AS-10489 |
| CCG-268916 |
| Q27276753 |
| CS-0030706 |
| V10232 |
| cholicacidmethylester |
| Class | Description |
|---|---|
| bile acid | Any member of a group of hydroxy-5beta-cholanic acids occuring in bile, where they are present as the sodium salts of their amides with glycine or taurine. In mammals bile acids almost invariably have 5beta-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) |
|---|---|---|---|---|---|---|---|
| Solute carrier organic anion transporter family member 1B3 | Homo sapiens (human) | IC50 (µMol) | 3.7153 | 0.1047 | 2.7195 | 7.0795 | AID977603 |
| Solute carrier organic anion transporter family member 1B3 | Homo sapiens (human) | Ki | 2.8900 | 0.0800 | 2.4688 | 9.8000 | AID977604 |
| Solute carrier organic anion transporter family member 1B1 | Homo sapiens (human) | IC50 (µMol) | 8.3176 | 0.0500 | 2.3797 | 9.7000 | AID977600 |
| Solute carrier organic anion transporter family member 1B1 | Homo sapiens (human) | Ki | 4.5800 | 0.0440 | 1.3630 | 5.0000 | AID977601 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| plasma membrane | Solute carrier organic anion transporter family member 1B3 | Homo sapiens (human) |
| basal plasma membrane | Solute carrier organic anion transporter family member 1B3 | Homo sapiens (human) |
| basolateral plasma membrane | Solute carrier organic anion transporter family member 1B3 | Homo sapiens (human) |
| plasma membrane | Solute carrier organic anion transporter family member 1B1 | Homo sapiens (human) |
| basal plasma membrane | Solute carrier organic anion transporter family member 1B1 | Homo sapiens (human) |
| membrane | Solute carrier organic anion transporter family member 1B1 | Homo sapiens (human) |
| basolateral plasma membrane | Solute carrier organic anion transporter family member 1B1 | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID470598 | Antifungal activity against Sporothrix schenckii after 72 hrs by microbroth dilution technique | 2009 | Bioorganic & medicinal chemistry letters, Sep-15, Volume: 19, Issue:18 | Design and synthesis of bile acid-based amino sterols as antimicrobial agents. |
| AID977600 | pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cells | 2013 | Molecular pharmacology, Jun, Volume: 83, Issue:6 | Structure-based identification of OATP1B1/3 inhibitors. |
| AID470594 | Antibacterial activity against Staphylococcus aureus ATCC 25923 after 24 hrs by NCCLS method | 2009 | Bioorganic & medicinal chemistry letters, Sep-15, Volume: 19, Issue:18 | Design and synthesis of bile acid-based amino sterols as antimicrobial agents. |
| AID470600 | Antifungal activity against Aspergillus fumigatus AF-27 after 72 hrs by microbroth dilution technique | 2009 | Bioorganic & medicinal chemistry letters, Sep-15, Volume: 19, Issue:18 | Design and synthesis of bile acid-based amino sterols as antimicrobial agents. |
| AID977604 | Ki values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cells | 2013 | Molecular pharmacology, Jun, Volume: 83, Issue:6 | Structure-based identification of OATP1B1/3 inhibitors. |
| AID470597 | Antifungal activity against Cryptococcus neoformans after 72 hrs by microbroth dilution technique | 2009 | Bioorganic & medicinal chemistry letters, Sep-15, Volume: 19, Issue:18 | Design and synthesis of bile acid-based amino sterols as antimicrobial agents. |
| AID470295 | Antibacterial activity against Escherichia coli ATCC 9637 after 24 hrs by NCCLS method | 2009 | Bioorganic & medicinal chemistry letters, Sep-15, Volume: 19, Issue:18 | Design and synthesis of bile acid-based amino sterols as antimicrobial agents. |
| AID977601 | Ki values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cells | 2013 | Molecular pharmacology, Jun, Volume: 83, Issue:6 | Structure-based identification of OATP1B1/3 inhibitors. |
| AID470601 | Antifungal activity against Candida parapsilosis ATCC 22019 after 48 hrs by microbroth dilution technique | 2009 | Bioorganic & medicinal chemistry letters, Sep-15, Volume: 19, Issue:18 | Design and synthesis of bile acid-based amino sterols as antimicrobial agents. |
| AID977602 | Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM | 2013 | Molecular pharmacology, Jun, Volume: 83, Issue:6 | Structure-based identification of OATP1B1/3 inhibitors. |
| AID470593 | Antibacterial activity against Pseudomonas aeruginosa ATCC BAA-427 after 24 hrs by NCCLS method | 2009 | Bioorganic & medicinal chemistry letters, Sep-15, Volume: 19, Issue:18 | Design and synthesis of bile acid-based amino sterols as antimicrobial agents. |
| AID470596 | Antifungal activity against Candida albicans after 48 hrs by microbroth dilution technique | 2009 | Bioorganic & medicinal chemistry letters, Sep-15, Volume: 19, Issue:18 | Design and synthesis of bile acid-based amino sterols as antimicrobial agents. |
| AID977603 | pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cells | 2013 | Molecular pharmacology, Jun, Volume: 83, Issue:6 | Structure-based identification of OATP1B1/3 inhibitors. |
| AID977599 | Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM | 2013 | Molecular pharmacology, Jun, Volume: 83, Issue:6 | Structure-based identification of OATP1B1/3 inhibitors. |
| AID470599 | Antifungal activity against Trichophyton mentagrophytes after 96 hrs by microbroth dilution technique | 2009 | Bioorganic & medicinal chemistry letters, Sep-15, Volume: 19, Issue:18 | Design and synthesis of bile acid-based amino sterols as antimicrobial agents. |
| AID1159550 | Human Phosphogluconate dehydrogenase (6PGD) Inhibitor Screening | 2015 | Nature cell biology, Nov, Volume: 17, Issue:11 | 6-Phosphogluconate dehydrogenase links oxidative PPP, lipogenesis and tumour growth by inhibiting LKB1-AMPK signalling. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 1 (11.11) | 18.7374 |
| 1990's | 1 (11.11) | 18.2507 |
| 2000's | 3 (33.33) | 29.6817 |
| 2010's | 4 (44.44) | 24.3611 |
| 2020's | 0 (0.00) | 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 moderate demand-to-supply ratio for research on this compound.
| This Compound (23.05) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 1 (10.00%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 9 (90.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||