Compound Detail
CHEMBL307016
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1c(C(C)=O)c(OCCCCCCOc2c(C(C)=O)c(OC)c3ccoc3c2OC)c(OC)c2occc12
Basic Information
| ChEMBL ID | CHEMBL307016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSDZMOYTZKAUNS-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
554.6
MW (Da)
6.64
ALogP
10
HBA
0
HBD
115.8
PSA (Ų)
0.12
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 6.6
EC50 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 6.6 | 6.56 | 250.0 | 2 |
| Potassium voltage-gated channel subfamily A member 3 CHEMBL4633 | Kd | 6.17 | 6.17 | 680.0 | 1 |
| Homo sapiens CHEMBL372 | EC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 250.0 | nM | 6.6 | Selectivity for Kv1.3 over Kv1.2 voltage-gated potassium channel subunit | 15084131 |
| Unchecked | Kd | = | 300.0 | nM | 6.52 | Selectivity for Kv1.3 over Kv1.1 voltage-gated potassium channel subunit | 15084131 |
| Potassium voltage-gated channel subfamily A member 3 | Kd | = | 680.0 | nM | 6.17 | Dissociation constant for the blockage of voltage-gated potassium channel subuni... | 15084131 |
| Homo sapiens | EC50 | = | 800.0 | nM | 6.1 | Inhibition of anti-CD3 dependent human T cell proliferation | 15084131 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15084131 | 10.1021/jm030523s | Unchecked | 5 |
| 15084131 | 10.1021/jm030523s | Potassium voltage-gated channel subfamily A member 3 | 1 |
| 15084131 | 10.1021/jm030523s | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine