Compound Detail
CHEMBL250182
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Basic Information
| ChEMBL ID | CHEMBL250182 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISRRVJLUIKXJQL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
2
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
6.33
ALogP
4
HBA
0
HBD
30.3
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | IC50 | 7.4 | 7.4 | 39.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 131.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 47.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 37.0 | % | Rattus norvegicus |
| T1/2 | 8.6 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | IC50 | = | 39.81 | nM | 7.4 | Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO ... | 17629700 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17629700 | 10.1016/j.bmcl.2007.06.077 | Rattus norvegicus | 5 |
| 17629700 | 10.1016/j.bmcl.2007.06.077 | Corticotropin-releasing factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine