Compound Detail
CHEMBL583387
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Basic Information
| ChEMBL ID | CHEMBL583387 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAGNIGUPUKCGAY-SNVBAGLBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
384.8
MW (Da)
4.22
ALogP
6
HBA
1
HBD
69.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL4649 | IC50 | 9.52 | 9.52 | 0.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | IC50 | = | 0.3 | nM | 9.52 | Displacement of [125I]Tyr-o-CRF from CRF1 receptor in rat frontal cortex homogen... | 19954247 |
| Corticotropin-releasing factor receptor 1 | IC50 | = | 0.3 | nM | 9.52 | Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex hom... | 20176478 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19954247 | 10.1021/jm900716v | Liver microsomes | 2 |
| 20176478 | 10.1016/j.bmcl.2010.01.129 | Liver microsomes | 2 |
| 19954247 | 10.1021/jm900716v | 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