Compound Detail
CHEMBL181227
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CCc1nc2n(c1C(=O)N(CC1CC1)CC(F)(F)C(F)(F)F)CCN2c1c(C)cc(C)cc1C
Basic Information
| ChEMBL ID | CHEMBL181227 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLSRWRSUTFRQSW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
484.5
MW (Da)
5.57
ALogP
4
HBA
0
HBD
41.4
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 7.2 | 7.2 | 63.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | Ki | = | 63.0 | nM | 7.2 | Displacement of [125I]-Tyr-o- CRF from human corticotropin releasing factor rece... | 15990298 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15990298 | 10.1016/j.bmcl.2005.05.117 | Corticotropin-releasing factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine