Compound Detail
CHEMBL458780
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Cc1cc(-n2ccc(-c3nccs3)n2)c2[nH]c(=O)n(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c2n1
Basic Information
| ChEMBL ID | CHEMBL458780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCFNBFVUHNJASQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
510.4
MW (Da)
5.37
ALogP
7
HBA
1
HBD
81.4
PSA (Ų)
0.33
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | IC50 | 5.08 | 5.08 | 8317.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | IC50 | = | 8317.64 | nM | 5.08 | Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed i... | 18975927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18975927 | 10.1021/jm800743q | Corticotropin-releasing factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine