Compound Detail
CHEMBL1097154
GANODERIC ACID S 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(=O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1097154 |
| Name | GANODERIC ACID S |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQUHIKXTCOSRFY-GOEVOFJGSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
452.7
MW (Da)
7.53
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL3593154 | IC50 | 4.9 | 4.9 | 12500.0 | 1 |
| K562 CHEMBL385 | IC50 | 4.19 | 4.19 | 65200.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.12 | 4.12 | 75200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 11000.0 | nM | 4.96 | Antiplasmodial activity against Plasmodium falciparum | 20384295 |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase | IC50 | = | 12500.0 | nM | 4.9 | Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in usi... | 26287401 |
| K562 | IC50 | = | 65200.0 | nM | 4.19 | Cytotoxicity against human K562 cells by MTT method | 26287401 |
| PC-3 | IC50 | = | 75200.0 | nM | 4.12 | Cytotoxicity against human PC3 cells by MTT method | 26287401 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26287401 | 10.1021/acs.jnatprod.5b00331 | Unchecked | 2 |
| 20384295 | 10.1021/np100031c | Plasmodium falciparum | 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 |
Data from ChEMBL 36 via Core Engine