Compound Detail
CHEMBL3799417
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COc1nc(C)c(Nc2nc(Cl)cn([C@H](COC(=O)Nc3cccnc3)C3CC3)c2=O)cc1C
Basic Information
| ChEMBL ID | CHEMBL3799417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQEBKHGKHQKYLO-GOSISDBHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
484.9
MW (Da)
4.26
ALogP
9
HBA
2
HBD
120.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL4649 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | IC50 | = | 10.0 | nM | 8.0 | Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex hom... | 27020524 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27020524 | 10.1016/j.bmcl.2016.03.067 | Liver microsome | 2 |
| 27020524 | 10.1016/j.bmcl.2016.03.067 | Corticotropin-releasing factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine