Compound Detail
CHEMBL3589779
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Basic Information
| ChEMBL ID | CHEMBL3589779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONJBINFWAWEQQG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
4.76
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | IC50 | 6.49 | 6.49 | 323.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.0 | nM | 9.0 | Displacement of [3H]-nicotinic acid from niacin receptor (unknown origin) expres... | 25737085 |
| Hydroxycarboxylic acid receptor 2 | IC50 | = | 323.0 | nM | 6.49 | Displacement of [3H]-nicotinic acid from N-flag-tagged human HCA2 receptor expre... | 25737085 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25737085 | 10.1016/j.bmc.2015.02.018 | Hydroxycarboxylic acid receptor 2 | 2 |
| 25737085 | 10.1016/j.bmc.2015.02.018 | Hydroxycarboxylic acid receptor 3 | 1 |
| 25737085 | 10.1016/j.bmc.2015.02.018 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine