Compound Detail
CHEMBL2087561
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Basic Information
| ChEMBL ID | CHEMBL2087561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXVCWENZGYILIK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
447.6
MW (Da)
5.83
ALogP
5
HBA
0
HBD
39.0
PSA (Ų)
0.44
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 450.0 | mL.min-1.g-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 | = | 22.0 | nM | 7.66 | Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells aft... | 22587443 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22587443 | 10.1021/jm300259r | Corticotropin-releasing factor receptor 1 | 1 |
| 22587443 | 10.1021/jm300259r | Liver microsomes | 1 |
| 22587443 | 10.1021/jm300259r | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine