Compound Detail
CHEMBL187039
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Basic Information
| ChEMBL ID | CHEMBL187039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSXXJLQNCKYOBZ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
394.6
MW (Da)
4.72
ALogP
6
HBA
0
HBD
49.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.4
Ki 1 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 8.28 | 8.28 | 5.2 | 1 |
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | Ki | = | 5.2 | nM | 8.28 | Inhibition of [125I]o-CRF binding to CHO cells expressing human CRF1 receptor | 15341493 |
| Corticotropin-releasing factor receptor 1 | IC50 | = | 40.0 | nM | 7.4 | Inhibition of [125I]o-CRF binding to CHO cells expressing human CRF1 receptor | 15341493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15341493 | 10.1021/jm040058e | Corticotropin-releasing factor receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine