Compound Detail
CHEMBL1922174
GANODERIC ACID C2 Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@H](CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1922174 |
| Name | GANODERIC ACID C2 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RERVSJVGWKIGTJ-RQLZKMEDSA-N |
5
Targets
5
Activities
2
Assay Types
1
PK Parameters
9
Publications
0
Known Names
Molecular Properties
518.7
MW (Da)
3.92
ALogP
6
HBA
4
HBD
132.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.14
Kd 1 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumor necrosis factor CHEMBL1825 | Kd | 8.08 | 8.08 | 8.4 | 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 |
| Aldo-keto reductase family 1 member B1 CHEMBL1900 | IC50 | 4.36 | 4.36 | 43800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Tmax | 0.065 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tumor necrosis factor | Kd | = | 8.39 | nM | 8.08 | 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 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 43800.0 | nM | 4.36 | Inhibition of recombinant human aldose reductase using dl-glyceraldehyde as subs... | 22047696 |
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 |
| 24070782 | 10.1016/j.bmcl.2013.08.084 | Unchecked | 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 |
| 31035236 | 10.1016/j.ejmech.2019.04.039 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine