Compound Detail
CHEMBL1915760
GANODERIC ACID Y Enter ChEMBL ID:
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C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1915760 |
| Name | GANODERIC ACID Y |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUTCYUJPLOTDMX-SPPZYOJVSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
454.7
MW (Da)
7.32
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL3593154 | IC50 | 5.07 | 5.07 | 8600.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| K562 CHEMBL385 | IC50 | 4.76 | 4.76 | 17500.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 4.68 | 4.68 | 21100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of human T9A4 cells assessed as reduction in cholesterol synthesis af... | 31035236 |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase | IC50 | = | 8600.0 | nM | 5.07 | Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in usi... | 26287401 |
| HeLa | IC50 | = | 11000.0 | nM | 4.96 | Cytotoxicity against human HeLa cells | 23092389 |
| K562 | IC50 | = | 17500.0 | nM | 4.76 | Cytotoxicity against human K562 cells by MTT method | 26287401 |
| Acetylcholinesterase | IC50 | = | 21110.0 | nM | 4.68 | Inhibition of AChE assessed as hydrolysis of acetylcholine preincubated for 15 m... | 21924611 |
| Acetylcholinesterase | IC50 | = | 21100.0 | nM | 4.68 | Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate ... | 31035236 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26287401 | 10.1021/acs.jnatprod.5b00331 | Unchecked | 2 |
| 21924611 | 10.1016/j.bmcl.2011.04.042 | Acetylcholinesterase | 1 |
| 21924611 | 10.1016/j.bmcl.2011.04.042 | Cholinesterase | 1 |
| 23092389 | 10.1021/np300412h | HeLa | 1 |
| 26287401 | 10.1021/acs.jnatprod.5b00331 | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 1 |
| 26287401 | 10.1021/acs.jnatprod.5b00331 | Sucrase-isomaltase, intestinal | 1 |
| 26287401 | 10.1021/acs.jnatprod.5b00331 | Acidic alpha-glucosidase | 1 |
| 26287401 | 10.1021/acs.jnatprod.5b00331 | K562 | 1 |
| 26287401 | 10.1021/acs.jnatprod.5b00331 | PC-3 | 1 |
| 31035236 | 10.1016/j.ejmech.2019.04.039 | Acetylcholinesterase | 1 |
| 31035236 | 10.1016/j.ejmech.2019.04.039 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine