Compound Detail
CHEMBL63989
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Basic Information
| ChEMBL ID | CHEMBL63989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPFHQARDCUZUIU-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
401.9
MW (Da)
5.22
ALogP
5
HBA
0
HBD
47.5
PSA (Ų)
0.58
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.96
Ki 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | EC50 | 5.96 | 5.88 | 1100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | Ki | = | 11.0 | nM | 7.96 | Binding affinity towards human Corticotropin releasing factor receptor 1 by the ... | 15080983 |
| Corticotropin-releasing factor receptor 1 | EC50 | = | 1100.0 | nM | 5.96 | Effective dose against human Corticotropin releasing factor receptor 1 stimulate... | 15080983 |
| Corticotropin-releasing factor receptor 1 | EC50 | = | 1600.0 | nM | 5.8 | Effective dose against CRF stimulated cAMP production in CHO cells expressing hu... | 15080983 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15080983 | 10.1016/j.bmcl.2004.02.053 | Corticotropin-releasing factor receptor 1 | 3 |
| 15080983 | 10.1016/j.bmcl.2004.02.053 | Corticotropin-releasing factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine