Compound Detail
CHEMBL1098479
GANODERMANONDIOL Enter ChEMBL ID:
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C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL1098479 |
| Name | GANODERMANONDIOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AAJIHHYEPHRIET-IYWVPRTKSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
456.7
MW (Da)
6.63
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 4.6 | 4.6 | 25080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 11000.0 | nM | 4.96 | Cytotoxicity against human HeLa cells | 23092389 |
| Plasmodium falciparum | IC50 | = | 13000.0 | nM | 4.89 | Antiplasmodial activity against Plasmodium falciparum | 20384295 |
| Acetylcholinesterase | IC50 | = | 25080.0 | nM | 4.6 | Inhibition of AChE assessed as hydrolysis of acetylcholine preincubated for 15 m... | 21924611 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23092389 | 10.1021/np300412h | NON-PROTEIN TARGET | 2 |
| 23357630 | 10.1016/j.bmcl.2012.12.066 | RAW264.7 | 2 |
| 20384295 | 10.1021/np100031c | Plasmodium falciparum | 1 |
| 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 |
Data from ChEMBL 36 via Core Engine