Compound Detail
CHEMBL3799870
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Cc1cc(Nc2nc(Cl)cn([C@H](COC(=O)Nc3ccccc3)C3CC3)c2=O)c(C)nc1OC(F)F
Basic Information
| ChEMBL ID | CHEMBL3799870 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBPPNXGXHLSEAN-GOSISDBHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
519.9
MW (Da)
5.45
ALogP
8
HBA
2
HBD
107.4
PSA (Ų)
0.39
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL4649 | IC50 | 9.13 | 9.13 | 0.7 | 1 |
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | IC50 | = | 0.74 | nM | 9.13 | Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex hom... | 27020524 |
| Corticotropin-releasing factor receptor 1 | IC50 | = | 1.2 | nM | 8.92 | Antagonist activity at CRF1 receptor in human Y79 cells assessed as inhibition o... | 27020524 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27020524 | 10.1016/j.bmcl.2016.03.067 | Corticotropin-releasing factor receptor 1 | 3 |
| 27020524 | 10.1016/j.bmcl.2016.03.067 | Liver microsome | 2 |
Data from ChEMBL 36 via Core Engine