Compound Detail
CHEMBL1097474
GANODERIC ACID TR Enter ChEMBL ID:
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C/C(=C/CC[C@@H](C)[C@H]1C[C@H](O)[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 | CHEMBL1097474 |
| Name | GANODERIC ACID TR |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNZQBBATMLGADX-OYLOMWMRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
468.7
MW (Da)
6.50
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8500.0 | nM | 5.07 | Inhibition of rat microsomal 5-alpha reductase assessed as inhibition of convers... | 23092389 |
| Plasmodium falciparum | IC50 | = | 20000.0 | nM | 4.7 | Antiplasmodial activity against Plasmodium falciparum | 20384295 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22014750 | 10.1016/j.bmc.2011.09.039 | HUVEC | 4 |
| 22014750 | 10.1016/j.bmc.2011.09.039 | Bile acid receptor/Retinoic acid receptor RXR-alpha | 2 |
| 20384295 | 10.1021/np100031c | Plasmodium falciparum | 1 |
| 22014750 | 10.1016/j.bmc.2011.09.039 | Bile acid receptor | 1 |
| 23092389 | 10.1021/np300412h | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine