Compound Detail
CHEMBL428730
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Basic Information
| ChEMBL ID | CHEMBL428730 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJTXSGLJNBAMJS-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
168.2
MW (Da)
1.45
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 7.07
Ki 1 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 CHEMBL4731 | Ki | 7.14 | 7.14 | 72.0 | 1 |
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | EC50 | 7.07 | 6.46 | 85.1 | 2 |
| Rattus norvegicus CHEMBL376 | EC50 | 5.65 | 5.515 | 2260.0 | 2 |
| Hydroxycarboxylic acid receptor 3 CHEMBL4421 | EC50 | 4.93 | 4.93 | 11749.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 | Ki | = | 72.0 | nM | 7.14 | Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in ... | 12930155 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 85.11 | nM | 7.07 | Agonist activity at human GPR109a expressed in human adipocytes assessed as decr... | 17804224 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 1400.0 | nM | 5.85 | Agonist activity at human cloned GPR109a receptor by forskolin-stimulated cAMP p... | 17588745 |
| Rattus norvegicus | EC50 | = | 2260.0 | nM | 5.65 | Potency required for stimulation of [35S]GTP gamma-S binding to rat spleen was d... | 12930155 |
| Rattus norvegicus | EC50 | = | 4120.0 | nM | 5.38 | G protein activation was measured by stimulation of [35S]GTP gamma-S binding to ... | 12930155 |
| Hydroxycarboxylic acid receptor 3 | EC50 | = | 11748.98 | nM | 4.93 | Agonist activity at human GPR109b expressed in human adipocytes assessed as decr... | 17804224 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12930155 | 10.1021/jm030888c | Rattus norvegicus | 4 |
| 17804224 | 10.1016/j.bmcl.2007.07.101 | Hydroxycarboxylic acid receptor 2 | 3 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 12930155 | 10.1021/jm030888c | Hydroxycarboxylic acid receptor 2 | 1 |
| 17804224 | 10.1016/j.bmcl.2007.07.101 | Hydroxycarboxylic acid receptor 3 | 1 |
| 17588745 | 10.1016/j.bmcl.2007.06.028 | Hydroxycarboxylic acid receptor 2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine