Compound Detail
CHEMBL373969
3,14-DIDEHYDROGINKGOLIDE A 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
CC1=C2[C@H](C[C@]34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@]24OC5=O)OC1=O
Basic Information
| ChEMBL ID | CHEMBL373969 |
| Name | 3,14-DIDEHYDROGINKGOLIDE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQXWWKYPPREDFP-VETRYGRWSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
0.81
ALogP
8
HBA
1
HBD
108.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycine receptor subunit alpha-1 CHEMBL5845 | IC50 | 5.51 | 5.355 | 3100.0 | 4 |
| Glycine receptor subunit alpha-2 CHEMBL5871 | IC50 | 5.02 | 5.01 | 9500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycine receptor subunit alpha-1 | IC50 | = | 3100.0 | nM | 5.51 | Activity at human alpha-1-beta-GlyR expressed in HEK293 cells by FMP assay | 17352465 |
| Glycine receptor subunit alpha-1 | IC50 | = | 3162.28 | nM | 5.5 | Activity at human alpha-1-beta-GlyR expressed in HEK293 cells by FMP assay | 17352465 |
| Glycine receptor subunit alpha-1 | IC50 | = | 6200.0 | nM | 5.21 | Activity at human alpha-1GlyR expressed in HEK293 cells by FMP assay | 17352465 |
| Glycine receptor subunit alpha-1 | IC50 | = | 6309.57 | nM | 5.2 | Activity at human alpha-1GlyR expressed in HEK293 cells by FMP assay | 17352465 |
| Glycine receptor subunit alpha-2 | IC50 | = | 9500.0 | nM | 5.02 | Activity at human alpha-2GlyR expressed in HEK293 cells by FMP assay | 17352465 |
| Glycine receptor subunit alpha-2 | IC50 | = | 10000.0 | nM | 5.0 | Activity at human alpha-2GlyR expressed in HEK293 cells by FMP assay | 17352465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17352465 | 10.1021/jm070003n | Glycine receptor subunit alpha-1 | 4 |
| 17352465 | 10.1021/jm070003n | Glycine receptor subunit alpha-2 | 2 |
Data from ChEMBL 36 via Core Engine