Compound Detail
CHEMBL5414047
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O=C(NCc1[nH]nc2ccccc12)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F
Basic Information
| ChEMBL ID | CHEMBL5414047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGSBEYKVWODBRD-ICSRJNTNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
502.6
MW (Da)
4.13
ALogP
6
HBA
3
HBD
97.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-adrenergic receptor kinase 1 CHEMBL4079 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-adrenergic receptor kinase 1 | IC50 | = | 18.0 | nM | 7.75 | Inhibition of human GRK2 | 36055000 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36055000 | 10.1016/j.ejmech.2022.114668 | Beta-adrenergic receptor kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine