Compound Detail
CHEMBL558280
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Basic Information
| ChEMBL ID | CHEMBL558280 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRCBXZPRZSUGCI-CYBMUJFWSA-N |
1
Targets
3
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
331.9
MW (Da)
4.54
ALogP
4
HBA
1
HBD
46.9
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 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 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 180.0 | mL.min-1.kg-1 | Homo sapiens |
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]ovine-CRF from CRF1 receptor in rat frontal cortex by rapi... | 19552436 |
| Corticotropin-releasing factor receptor 1 | IC50 | = | 1.7 | nM | 8.77 | Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex hom... | 19552437 |
| Corticotropin-releasing factor receptor 1 | IC50 | = | 1.7 | nM | 8.77 | Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex hom... | 20176478 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19552436 | 10.1021/jm900302q | Corticotropin-releasing factor receptor 1 | 1 |
| 19552436 | 10.1021/jm900302q | Liver microsomes | 1 |
| 19552437 | 10.1021/jm900301y | Corticotropin-releasing factor receptor 1 | 1 |
| 20176478 | 10.1016/j.bmcl.2010.01.129 | Corticotropin-releasing factor receptor 1 | 1 |
| 20176478 | 10.1016/j.bmcl.2010.01.129 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine