Compound Detail
CHEMBL10090
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COc1cc(Br)c(-n2c(=O)n(C)c3c(-c4ccccc4C(F)(F)F)nc(C)nc32)c(OC)c1
Basic Information
| ChEMBL ID | CHEMBL10090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKXXSZPXLVGDRK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
523.3
MW (Da)
4.89
ALogP
7
HBA
0
HBD
71.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 7.02 | 7.02 | 95.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | Ki | = | 95.5 | nM | 7.02 | Antagonistic activity for Corticotropin releasing factor receptor 1 | 10230641 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10230641 | 10.1016/s0960-894x(99)00133-x | Corticotropin-releasing factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine