Compound Detail
CHEMBL3262877
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Basic Information
| ChEMBL ID | CHEMBL3262877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBUQDQIXFCMDEH-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
417.3
MW (Da)
2.74
ALogP
3
HBA
0
HBD
49.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 183 CHEMBL3259470 | IC50 | 7.55 | 7.55 | 28.0 | 2 |
| G-protein coupled receptor 183 CHEMBL3259471 | IC50 | 7.0 | 7.0 | 100.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 131.0 | mL.min-1.g-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 183 | IC50 | = | 28.0 | nM | 7.55 | Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells as... | 24678947 |
| G-protein coupled receptor 183 | IC50 | = | 28.18 | nM | 7.55 | Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells as... | 24678947 |
| G-protein coupled receptor 183 | IC50 | = | 100.0 | nM | 7.0 | Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells as... | 24678947 |
| G-protein coupled receptor 183 | IC50 | = | 100.0 | nM | 7.0 | Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells as... | 24678947 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24678947 | 10.1021/jm4019355 | G-protein coupled receptor 183 | 4 |
| 24678947 | 10.1021/jm4019355 | Liver | 1 |
Data from ChEMBL 36 via Core Engine