Compound Detail
CHEMBL3716478
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CN(C)c1ccc(O)c2c1CC1CC3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O
Basic Information
| ChEMBL ID | CHEMBL3716478 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYKFCLLONBREIL-RXSMKRGCSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
0.19
ALogP
9
HBA
5
HBD
164.6
PSA (Ų)
0.40
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G protein-coupled receptor kinase 6 CHEMBL6144 | IC50 | 5.86 | 5.86 | 1370.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G protein-coupled receptor kinase 6 | IC50 | = | 1370.0 | nM | 5.86 | Inhibition of human recombinant full-length GST-tagged human GRK6 using peptide ... | - |
| G protein-coupled receptor kinase 6 | IC50 | = | 1370.0 | nM | 5.86 | TBD: TBD | - |
Data from ChEMBL 36 via Core Engine