Compound Detail
CHEMBL425542
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COCCN(CCOC)c1cc(C)nc2c1NC(=O)CN2c1ccc(C(C)C)cc1Cl.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL425542 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYVISCHDAJWZBY-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1185656 |
| Active Moiety | CHEMBL1185656 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
447.0
MW (Da)
4.36
ALogP
6
HBA
1
HBD
66.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL4649 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | IC50 | = | 18.0 | nM | 7.75 | Inhibition of [125I]ovine-CRF binding to corticotropin releasing factor receptor... | 15509177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15509177 | 10.1021/jm049737f | Corticotropin-releasing factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine