Compound Detail
CHEMBL2087794
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Basic Information
| ChEMBL ID | CHEMBL2087794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGPYOITZBPLLPY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
490.6
MW (Da)
4.68
ALogP
8
HBA
0
HBD
81.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | IC50 | 7.28 | 7.28 | 52.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1100.0 | 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 | = | 52.0 | nM | 7.28 | Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells aft... | 22587443 |
| Corticotropin-releasing factor receptor 1 | IC50 | = | 52.0 | nM | 7.28 | Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as... | 22587443 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22587443 | 10.1021/jm300259r | Corticotropin-releasing factor receptor 1 | 2 |
| 22587443 | 10.1021/jm300259r | Liver microsomes | 1 |
| 22587443 | 10.1021/jm300259r | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine