Compound Detail
CHEMBL78004
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COc1c(C(C)=O)c(OCCCCCCCOc2c(C(C)=O)c(OC)c3ccoc3c2OC)c(OC)c2occc12
Basic Information
| ChEMBL ID | CHEMBL78004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDKFIFUZMSHPAO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
568.6
MW (Da)
7.03
ALogP
10
HBA
0
HBD
115.8
PSA (Ų)
0.10
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 3 CHEMBL4633 | Kd | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 3 | Kd | = | 3000.0 | nM | 5.52 | Dissociation constant for the blockage of voltage-gated potassium channel subuni... | 15084131 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15084131 | 10.1021/jm030523s | Potassium voltage-gated channel subfamily A member 3 | 1 |
Data from ChEMBL 36 via Core Engine