Compound Detail
CHEMBL516242
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Basic Information
| ChEMBL ID | CHEMBL516242 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXLDEDKRJNGWMF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
2.98
ALogP
8
HBA
0
HBD
77.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL4649 | IC50 | 8.51 | 8.51 | 3.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 684.76 | ng.hr.mL-1 | Canis lupus familiaris |
| Cmax | 313.7 | nM | Canis lupus familiaris |
| T1/2 | 11.4 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | IC50 | = | 3.1 | nM | 8.51 | Displacement of [125I]Tyro-rat/human CRF from CRF1 receptor in rat cortical memb... | 19361209 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19361209 | 10.1021/jm900025h | Canis familiaris | 3 |
| 19361209 | 10.1021/jm900025h | Corticotropin-releasing factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine