Compound Detail
CHEMBL383634
GLIQUIDONE 🧪 Phase II
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🧪 Phase II
COc1ccc2c(c1)C(=O)N(CCc1ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc1)C(=O)C2(C)C
Basic Information
| ChEMBL ID | CHEMBL383634 |
| Name | GLIQUIDONE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | LLJFMFZYVVLQKT-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
4
Targets
4
Activities
1
Assay Types
5
PK Parameters
20
Publications
5
Known Names
1
Indications
Molecular Properties
527.6
MW (Da)
3.52
ALogP
6
HBA
2
HBD
121.9
PSA (Ų)
0.53
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Diabetes Mellitus
ATC Classification
A10BB08
gliquidone
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: DRUGS USED IN DIABETES
Activity Summary
IC50 4 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.64 | 6.64 | 229.9 | 1 |
| ATP-binding cassette sub-family C member 4 CHEMBL1743128 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 4.94 | 4.94 | 11600.0 | 1 |
| ATP-binding cassette sub-family C member 3 CHEMBL5918 | IC50 | 4.62 | 4.62 | 23850.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 5100.17 | ng.hr.mL-1 | Homo sapiens |
| CL | 3.5 | mL.min-1.kg-1 | Macaca fascicularis |
| CL | 0.96 | mL.min-1.kg-1 | Homo sapiens |
| Fu | 1.5e-05 | - | Macaca fascicularis |
| Fu | 3.5e-05 | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 229.87 | nM | 6.64 | PubChem BioAssay. insulin secretion from INS-1E cells in the presence of 5 mM gl... | - |
| ATP-binding cassette sub-family C member 4 | IC50 | = | 6300.0 | nM | 5.2 | Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as... | 23956101 |
| Bile salt export pump | IC50 | = | 11600.0 | nM | 4.94 | Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as... | 23956101 |
| ATP-binding cassette sub-family C member 3 | IC50 | = | 23850.0 | nM | 4.62 | Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles asse... | 23956101 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32985885 | 10.1021/acs.jmedchem.0c01033 | ADMET | 7 |
| 37468498 | 10.1038/s41467-023-40064-9 | Bile acid receptor | 4 |
| 37468498 | 10.1038/s41467-023-40064-9 | Glucocorticoid receptor | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Nuclear receptor subfamily 1 group I member 2 | 3 |
| 23956101 | 10.1093/toxsci/kft176 | Unchecked | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Gamma-aminobutyric acid receptor subunit alpha-1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Peroxisome proliferator-activated receptor alpha | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Retinoic acid receptor alpha | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Retinoic acid receptor gamma | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Progesterone receptor | 2 |
| 23956101 | 10.1093/toxsci/kft176 | Homo sapiens | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Oxysterols receptor LXR-alpha | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Oxysterols receptor LXR-beta | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Retinoic acid receptor beta | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine