AMG 3: structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
| ID Source | ID |
|---|---|
| PubMed CID | 10002952 |
| CHEMBL ID | 476325 |
| SCHEMBL ID | 8312092 |
| MeSH ID | M0305147 |
| Synonym |
|---|
| CHEMBL476325 , |
| 3-(2-hexyl-[1,3]dithiolan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6h-benzo[c]chromen-1-ol |
| (6ar,10ar)-3-(2-hexyl-[1,3]dithiolan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6h-benzo[c]chromen-1-ol |
| (-)-2-(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-1-hydroxy-6h-dibenzo[ |
| (-)-2-(6a,7,10,10a-tetrahydro-6,6,9-trimethylhydroxy-6h-dibenzo[b,d]pyranyl)-2-hexyl-1,3-dithiolane |
| bdbm50063885 |
| (6ar,10ar)-3-(2-hexyl-1,3-dithiolan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6h-benzo[c]chromen-1-ol |
| 6h-dibenzo(b,d)pyran-1-ol, 3-(2-hexyl-1,3-dithiolan-2-yl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-, (6ar-trans)- |
| unii-u90k6d923k |
| (-)-2-(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-1-hydroxy-6h-dibenzo(b,d)pyranyl)-2-hexyl-1,3-dithiolane |
| amg 3 |
| amg-3 |
| 2-(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-1-hydroxy-6h-pyranyl)-2-hexyl-1,3-dithiolane |
| 6h-dibenzo(b,d)pyran-1-ol, 3-(2-hexyl-1,3-dithiolan-2-yl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-, (6ar,10ar)- |
| u90k6d923k , |
| 179044-94-1 |
| SCHEMBL8312092 |
| JECXXFXYJAQVAH-WOJBJXKFSA-N |
| Q4652627 |
| DTXSID701019037 |
| (6ar,10ar)-3-(2-hexyl-1,3-dithiolan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol |
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Cholesteryl ester transfer protein | Homo sapiens (human) | Ki | 0.0005 | 0.0005 | 0.0220 | 0.0520 | AID311038 |
| Cannabinoid receptor 1 | Rattus norvegicus (Norway rat) | Ki | 0.0003 | 0.0002 | 0.5665 | 10.0000 | AID49665 |
| Cannabinoid receptor 1 | Homo sapiens (human) | Ki | 0.0003 | 0.0001 | 0.5077 | 9.6000 | AID303924; AID311037; AID342791 |
| Cannabinoid receptor 2 | Homo sapiens (human) | Ki | 0.0005 | 0.0000 | 0.4156 | 10.0000 | AID311038; AID342792 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| phospholipid transporter activity | Cholesteryl ester transfer protein | Homo sapiens (human) |
| lipid binding | Cholesteryl ester transfer protein | Homo sapiens (human) |
| cholesterol binding | Cholesteryl ester transfer protein | Homo sapiens (human) |
| triglyceride binding | Cholesteryl ester transfer protein | Homo sapiens (human) |
| phosphatidylcholine binding | Cholesteryl ester transfer protein | Homo sapiens (human) |
| cholesterol transfer activity | Cholesteryl ester transfer protein | Homo sapiens (human) |
| cannabinoid receptor activity | Cannabinoid receptor 1 | Homo sapiens (human) |
| protein binding | Cannabinoid receptor 1 | Homo sapiens (human) |
| identical protein binding | Cannabinoid receptor 1 | Homo sapiens (human) |
| G protein-coupled receptor activity | Cannabinoid receptor 1 | Homo sapiens (human) |
| protein binding | Cannabinoid receptor 2 | Homo sapiens (human) |
| cannabinoid receptor activity | Cannabinoid receptor 2 | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID311038 | Binding affinity to CB2 receptor | 2007 | Journal of medicinal chemistry, Jun-14, Volume: 50, Issue:12 | The application of 3D-QSAR studies for novel cannabinoid ligands substituted at the C1' position of the alkyl side chain on the structural requirements for binding to cannabinoid receptors CB1 and CB2. |
| AID49852 | Binding affinity for Cannabinoid receptor 2 by the ability to displace radiolabeled CP-55940 from mouse spleen synaptosomes | 2002 | Bioorganic & medicinal chemistry letters, Dec-16, Volume: 12, Issue:24 | Novel 1',1'-chain substituted Delta(8)-tetrahydrocannabinols. |
| AID303924 | Binding affinity at CB1 receptor | 2007 | Bioorganic & medicinal chemistry letters, Dec-15, Volume: 17, Issue:24 | Combined 3D QSAR and molecular docking studies to reveal novel cannabinoid ligands with optimum binding activity. |
| AID49491 | Binding affinity for Cannabinoid receptor 1 by the ability to displace radiolabeled CP-55940 from purified rat forebrain synaptosomes | 2002 | Bioorganic & medicinal chemistry letters, Dec-16, Volume: 12, Issue:24 | Novel 1',1'-chain substituted Delta(8)-tetrahydrocannabinols. |
| AID342792 | Binding affinity to CB2 receptor | 2008 | Bioorganic & medicinal chemistry, Aug-01, Volume: 16, Issue:15 | Comparative molecular dynamics simulations of the potent synthetic classical cannabinoid ligand AMG3 in solution and at binding site of the CB1 and CB2 receptors. |
| AID49859 | The compound was evaluated for its affinity towards cannabinoid receptor 2 (CB2) in mouse spleen | 1998 | Journal of medicinal chemistry, Mar-26, Volume: 41, Issue:7 | Pharmacophoric requirements for cannabinoid side chains: multiple bond and C1'-substituted delta 8-tetrahydrocannabinols. |
| AID49858 | Compound was tested for its binding affinity against mouse spleen Cannabinoid receptor 2 using [3H]CP-55940 as radioligand | 2003 | Journal of medicinal chemistry, Jul-17, Volume: 46, Issue:15 | Pharmacophoric requirements for the cannabinoid side chain. Probing the cannabinoid receptor subsite at C1'. |
| AID342791 | Binding affinity to CB1 receptor | 2008 | Bioorganic & medicinal chemistry, Aug-01, Volume: 16, Issue:15 | Comparative molecular dynamics simulations of the potent synthetic classical cannabinoid ligand AMG3 in solution and at binding site of the CB1 and CB2 receptors. |
| AID311037 | Binding affinity to CB1 receptor | 2007 | Journal of medicinal chemistry, Jun-14, Volume: 50, Issue:12 | The application of 3D-QSAR studies for novel cannabinoid ligands substituted at the C1' position of the alkyl side chain on the structural requirements for binding to cannabinoid receptors CB1 and CB2. |
| AID49665 | Binding affinity against rat brain Cannabinoid receptor 1 using [3H]CP-55940 | 2003 | Journal of medicinal chemistry, Jul-17, Volume: 46, Issue:15 | Pharmacophoric requirements for the cannabinoid side chain. Probing the cannabinoid receptor subsite at C1'. |
| AID49670 | The compound was evaluated for its affinity towards cannabinoid receptor 1 (CB1) in rat brain | 1998 | Journal of medicinal chemistry, Mar-26, Volume: 41, Issue:7 | Pharmacophoric requirements for cannabinoid side chains: multiple bond and C1'-substituted delta 8-tetrahydrocannabinols. |
| [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 | 2 (18.18) | 18.2507 |
| 2000's | 7 (63.64) | 29.6817 |
| 2010's | 2 (18.18) | 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 very strong demand-to-supply ratio for research on this compound.
| This Compound (95.33) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 0 (0.00%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 11 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||