Compound Detail
CHEMBL1628268
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C#CCN(c1nc(-c2cc(C)c(OC)cc2Cl)c(C)s1)[C@@H](CC1CC1)c1ccc(C)c(F)c1.Cl
Basic Information
| ChEMBL ID | CHEMBL1628268 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMXALUHUEGRRCH-JIDHJSLPSA-N |
| Parent Compound | CHEMBL291657 |
| Active Moiety | CHEMBL291657 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
483.1
MW (Da)
7.52
ALogP
4
HBA
0
HBD
25.4
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 8.7 | 8.7 | 2.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | Ki | = | 2.0 | nM | 8.7 | Displacement of [125I]sauvagine from human CRF1 receptor expressed in IMR32 cell... | 18672365 |
| Corticotropin-releasing factor receptor 1 | Ki | = | 2.0 | nM | 8.7 | Antagonist activity at human CRF-1 receptor | 21618986 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18672365 | 10.1016/j.bmcl.2008.07.063 | Corticotropin-releasing factor receptor 1 | 1 |
| 21618986 | 10.1021/jm200365y | Corticotropin-releasing factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine