Compound Detail
CHEMBL1084413
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Basic Information
| ChEMBL ID | CHEMBL1084413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZIABYFTQSXPOJ-SNVBAGLBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
334.8
MW (Da)
3.32
ALogP
6
HBA
1
HBD
69.0
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL4649 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | IC50 | = | 11.0 | nM | 7.96 | Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex hom... | 20176478 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20176478 | 10.1016/j.bmcl.2010.01.129 | Liver microsomes | 2 |
| 20176478 | 10.1016/j.bmcl.2010.01.129 | Corticotropin-releasing factor receptor 1 | 1 |
| 20176478 | 10.1016/j.bmcl.2010.01.129 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine