Compound Detail
CHEMBL444614
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Basic Information
| ChEMBL ID | CHEMBL444614 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIXFJYQVZDZLCL-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
4.55
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 7.3
Ki 1 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 8.25 | 8.25 | 5.6 | 1 |
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | Ki | = | 5.6 | nM | 8.25 | Inhibition of [125I]o-CRF binding to CHO cells expressing human CRF1 receptor | 15341493 |
| Corticotropin-releasing factor receptor 1 | IC50 | = | 50.0 | nM | 7.3 | 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