Compound Detail
CHEMBL1922177
GANODERIC ACID K Enter ChEMBL ID:
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CC(=O)O[C@@H]1C(=O)C2=C([C@@H](O)C[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@]2(C)C(=O)C[C@H]([C@H](C)CC(=O)CC(C)C(=O)O)[C@@]12C
Basic Information
| ChEMBL ID | CHEMBL1922177 |
| Name | GANODERIC ACID K |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEHYQHPDUCRLMW-BHYSALSHSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
574.7
MW (Da)
3.67
ALogP
8
HBA
3
HBD
155.3
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.44 | 5.44 | 3650.0 | 1 |
| P388 CHEMBL389 | IC50 | 5.14 | 5.14 | 7250.0 | 1 |
| Bel-7402 CHEMBL614279 | IC50 | 5.14 | 5.14 | 7250.0 | 1 |
| SGC-7901 CHEMBL614909 | IC50 | 5.14 | 5.14 | 7250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 3650.0 | nM | 5.44 | Antiinflammatory activity in mouse BV2 cells assessed as inhibition of LPS-induc... | 27335254 |
| SGC-7901 | IC50 | = | 7250.0 | nM | 5.14 | Cytotoxicity against human SGC7901 cells | 23092389 |
| Bel-7402 | IC50 | = | 7250.0 | nM | 5.14 | Cytotoxicity against human Bel7402 cells | 23092389 |
| P388 | IC50 | = | 7250.0 | nM | 5.14 | Cytotoxicity against mouse P388 cells | 23092389 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22047696 | 10.1016/j.bmcl.2011.10.035 | Aldo-keto reductase family 1 member B1 | 1 |
| 23092389 | 10.1021/np300412h | SGC-7901 | 1 |
| 23092389 | 10.1021/np300412h | Bel-7402 | 1 |
| 23092389 | 10.1021/np300412h | P388 | 1 |
| 23092389 | 10.1021/np300412h | HeLa | 1 |
| 24070782 | 10.1016/j.bmcl.2013.08.084 | Unchecked | 1 |
| 27335254 | 10.1016/j.bmcl.2016.06.023 | NON-PROTEIN TARGET | 1 |
| 27335254 | 10.1016/j.bmcl.2016.06.023 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine