Compound Detail
CHEMBL3707013
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Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C/NCCCN1CCOCC1)C(=O)C(O)=C3C(C)C)/C(=C/NCCCN1CCOCC1)C(=O)C(O)=C2C(C)C
Basic Information
| ChEMBL ID | CHEMBL3707013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBBGYMDPZSCBLJ-PUHRYQSPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
771.0
MW (Da)
5.70
ALogP
12
HBA
6
HBD
164.1
PSA (Ų)
0.11
QED
4
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G protein-coupled receptor kinase 6 CHEMBL6144 | IC50 | 4.77 | 4.77 | 16890.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G protein-coupled receptor kinase 6 | IC50 | = | 16890.0 | nM | 4.77 | Inhibition of human recombinant full-length GST-tagged human GRK6 using peptide ... | - |
| G protein-coupled receptor kinase 6 | IC50 | = | 16890.0 | nM | 4.77 | TBD: TBD | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19264482 | 10.1016/j.bmcl.2009.02.051 | Fusarium oxysporum | 10 |
Data from ChEMBL 36 via Core Engine