Compound Detail
CHEMBL3727997
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Basic Information
| ChEMBL ID | CHEMBL3727997 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZXYUSNLUAQYJFK-NSKAYECMSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
429.3
MW (Da)
4.53
ALogP
5
HBA
2
HBD
75.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G protein-coupled receptor kinase 3 CHEMBL1075166 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Beta-adrenergic receptor kinase 1 CHEMBL4079 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| G protein-coupled receptor kinase 5 CHEMBL5678 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G protein-coupled receptor kinase 3 | Ki | = | 100.0 | nM | 7.0 | Inhibition of GRK3 (unknown origin) after 90 to 120 mins by Kinase-Glo assay | - |
| Beta-adrenergic receptor kinase 1 | Ki | = | 100.0 | nM | 7.0 | Inhibition of human GRK2 after 90 to 120 mins by Kinase-Glo assay | - |
| G protein-coupled receptor kinase 5 | Ki | = | 1000.0 | nM | 6.0 | Inhibition of GRK5 (unknown origin) after 90 to 120 mins by Kinase-Glo assay | - |
Data from ChEMBL 36 via Core Engine