Compound Detail
CHEMBL1319645
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Basic Information
| ChEMBL ID | CHEMBL1319645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSMHBLKPFCNMPE-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
2.88
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G protein-coupled receptor kinase 6 CHEMBL6144 | IC50 | 5.14 | 5.14 | 7160.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.05 | 5.05 | 8960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G protein-coupled receptor kinase 6 | IC50 | = | 7160.0 | nM | 5.14 | Inhibition of human recombinant full-length GST-tagged human GRK6 using peptide ... | - |
| G protein-coupled receptor kinase 6 | IC50 | = | 7160.0 | nM | 5.14 | TBD: TBD | - |
| Unchecked | IC50 | = | 8960.0 | nM | 5.05 | PUBCHEM_BIOASSAY: A biochemical assay using the ADP-Hunter methodology, purified... | - |
Data from ChEMBL 36 via Core Engine