Compound Detail
CHEMBL574436
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL574436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHAZSYWKCSEYRK-CQSZACIVSA-N |
1
Targets
2
Activities
1
Assay Types
9
PK Parameters
6
Publications
0
Known Names
Molecular Properties
378.9
MW (Da)
3.26
ALogP
7
HBA
1
HBD
78.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL4649 | IC50 | 8.82 | 8.82 | 1.5 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1136.58 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 492.52 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 38.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 510.0 | nM | Rattus norvegicus |
| Cmax | 180.0 | nM | Rattus norvegicus |
| F | 26.0 | % | Rattus norvegicus |
| F | 11.0 | % | Rattus norvegicus |
| Fu | 0.021 | - | Homo sapiens |
| T1/2 | 19.0 | 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 | = | 1.5 | nM | 8.82 | Displacement of [125I]Tyr-o-CRF from CRF1 receptor in rat frontal cortex homogen... | 19954247 |
| Corticotropin-releasing factor receptor 1 | IC50 | = | 1.5 | nM | 8.82 | Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex hom... | 27020524 |
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 |
| 27020524 | 10.1016/j.bmcl.2016.03.067 | Corticotropin-releasing factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine