Compound Detail
CHEMBL573976
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Basic Information
| ChEMBL ID | CHEMBL573976 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYGUHTHFIXOOGG-MRXNPFEDSA-N |
1
Targets
1
Activities
1
Assay Types
9
PK Parameters
5
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
3.24
ALogP
7
HBA
1
HBD
92.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL4649 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1060.29 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 84.82 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 53.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 590.0 | nM | Rattus norvegicus |
| Cmax | 50.0 | nM | Rattus norvegicus |
| F | 33.0 | % | Rattus norvegicus |
| F | 3.0 | % | Rattus norvegicus |
| Fu | 0.019 | - | Homo sapiens |
| T1/2 | 9.0 | 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 | = | 1.7 | nM | 8.77 | 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 | No relevant target | 4 |
| 19954247 | 10.1021/jm900716v | Liver microsomes | 2 |
| 19954247 | 10.1021/jm900716v | Serum | 1 |
| 19954247 | 10.1021/jm900716v | Corticotropin-releasing factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine