Compound Detail
CHEMBL453981
GANODERIC ACID F Enter ChEMBL ID:
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CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@H]3C(C)(C)C(=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 | CHEMBL453981 |
| Name | GANODERIC ACID F |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWCNWXLKMWWVBT-AIMUVTGPSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
570.7
MW (Da)
4.09
ALogP
8
HBA
1
HBD
148.9
PSA (Ų)
0.45
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.14
Kd 1 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumor necrosis factor CHEMBL1825 | Kd | 8.57 | 8.57 | 2.7 | 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 |
| HepG2 CHEMBL395 | IC50 | 4.71 | 4.71 | 19600.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.62 | 4.62 | 24130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tumor necrosis factor | Kd | = | 2.69 | nM | 8.57 | Binding affinity to TNF-alpha (unknown origin) | 24974349 |
| 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 |
| HepG2 | IC50 | = | 19600.0 | nM | 4.71 | Anticancer activity against human HepG2 cells assessed as cell viability after 2... | 24974349 |
| NON-PROTEIN TARGET | IC50 | = | 24130.0 | nM | 4.62 | Antiinflammatory activity in mouse BV2 cells assessed as inhibition of LPS-induc... | 27335254 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14695801 | 10.1021/np0302293 | Unchecked | 5 |
| 14695801 | 10.1021/np0302293 | Raji | 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 |
| 24974349 | 10.1016/j.ejmech.2014.06.037 | No relevant target | 1 |
| 24974349 | 10.1016/j.ejmech.2014.06.037 | Tumor necrosis factor | 1 |
| 24974349 | 10.1016/j.ejmech.2014.06.037 | HepG2 | 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