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Compound Detail

CHEMBL2113267

GINKGOLIDE M
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C[C@@H]1C(=O)O[C@@H]2[C@H]1[C@@]13OC4OC(=O)[C@H](O)C45[C@H](C(C)(C)C)[C@@H](O)C(OC1=O)[C@]53[C@H]2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2113267
Name GINKGOLIDE M
Phase Preclinical
Structure Type MOL
InChI Key KDKROYXEHCYLJQ-DDQXZYLESA-N
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

424.4
MW (Da)
-1.51
ALogP
10
HBA
3
HBD
148.8
PSA (Ų)
0.31
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H24O10
MW 424.40
Aromatic Rings 0
Heavy Atoms 30
NP-Likeness 3.02

Activity Summary

IC50 7 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycine receptor subunit alpha-1
CHEMBL5845
 IC50 6.3 6.19 501.2 5
Glycine receptor subunit alpha-2
CHEMBL5871
 IC50 5.9 5.895 1258.9 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycine receptor subunit alpha-1 IC50 = 501.19 nM 6.3 Activity at human alpha-1-beta-GlyR expressed in HEK293 cells by FMP assay 17352465
Glycine receptor subunit alpha-1 IC50 = 560.0 nM 6.25 Activity at human alpha-1-beta-GlyR expressed in HEK293 cells by FMP assay 17352465
Glycine receptor subunit alpha-1 IC50 = 650.0 nM 6.19 Activity at human alpha-1GlyR expressed in HEK293 cells assessed as inhibition o... 17352465
Glycine receptor subunit alpha-1 IC50 = 780.0 nM 6.11 Activity at human alpha-1GlyR expressed in HEK293 cells by FMP assay 17352465
Glycine receptor subunit alpha-1 IC50 = 794.33 nM 6.1 Activity at human alpha-1GlyR expressed in HEK293 cells by FMP assay 17352465
Glycine receptor subunit alpha-2 IC50 = 1258.93 nM 5.9 Activity at human alpha-2GlyR expressed in HEK293 cells by FMP assay 17352465
Glycine receptor subunit alpha-2 IC50 = 1300.0 nM 5.89 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 5
17352465 10.1021/jm070003n Glycine receptor subunit alpha-2 2

Data from ChEMBL 36 via Core Engine