Compound Detail
CHEMBL247316
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Basic Information
| ChEMBL ID | CHEMBL247316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIVUJUOJERNGQX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
124.1
MW (Da)
0.17
ALogP
3
HBA
1
HBD
63.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | EC50 | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 2900.0 | nM | 5.54 | Agonist activity at human cloned GPR109a receptor by forskolin-stimulated cAMP p... | 17588745 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25038482 | 10.1016/j.ejmech.2014.07.039 | No relevant target | 2 |
| 17588745 | 10.1016/j.bmcl.2007.06.028 | Hydroxycarboxylic acid receptor 2 | 1 |
| 25038482 | 10.1016/j.ejmech.2014.07.039 | GABA-A receptor; anion channel | 1 |
| 25038482 | 10.1016/j.ejmech.2014.07.039 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 1 |
| 36228522 | 10.1016/j.bmc.2022.117046 | Mycobacterium tuberculosis variant bovis | 1 |
Data from ChEMBL 36 via Core Engine