Compound Detail
CHEMBL484717
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Basic Information
| ChEMBL ID | CHEMBL484717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IATUECUDFVPEHT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
5
PK Parameters
3
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
3.93
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.89 | 6.485 | 130.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 27.7 | microM/hr/mg | Mus musculus |
| CL | 1.2 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 15000.0 | nM | Mus musculus |
| F | 64.0 | % | Mus musculus |
| T1/2 | 2.8 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 130.0 | nM | 6.89 | Displacement of [3H]Niacin from human niacin receptor expressed in CHO cells | 18477506 |
| Unchecked | IC50 | = | 840.0 | nM | 6.08 | Agonist activity at human niacin receptor expressed in CHO cells by GTPgammaS bi... | 18477506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18477506 | 10.1016/j.bmcl.2008.04.071 | Mus musculus | 6 |
| 18477506 | 10.1016/j.bmcl.2008.04.071 | Unchecked | 2 |
| 18477506 | 10.1016/j.bmcl.2008.04.071 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine