Compound Detail
CHEMBL574853
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Basic Information
| ChEMBL ID | CHEMBL574853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKVMTKHOKCHPDT-SECBINFHSA-N |
1
Targets
1
Activities
1
Assay Types
9
PK Parameters
4
Publications
0
Known Names
Molecular Properties
395.8
MW (Da)
3.79
ALogP
7
HBA
1
HBD
92.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL4649 | IC50 | 9.09 | 9.09 | 0.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 3918.42 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1820.68 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 36.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 1400.0 | nM | Rattus norvegicus |
| Cmax | 560.0 | nM | Rattus norvegicus |
| F | 82.0 | % | Rattus norvegicus |
| F | 38.0 | % | Rattus norvegicus |
| Fu | 0.016 | - | Homo sapiens |
| T1/2 | 7.2 | 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 | = | 0.82 | nM | 9.09 | Displacement of [125I]Tyr-o-CRF from CRF1 receptor in rat frontal cortex homogen... | 19954247 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19954247 | 10.1021/jm900716v | Rattus norvegicus | 9 |
| 19954247 | 10.1021/jm900716v | Liver microsomes | 8 |
| 19954247 | 10.1021/jm900716v | Serum | 1 |
| 19954247 | 10.1021/jm900716v | Corticotropin-releasing factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine