Compound Detail
CHEMBL3621438
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
Basic Information
| ChEMBL ID | CHEMBL3621438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBTKKUCKSIXDJB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
354.5
MW (Da)
2.42
ALogP
7
HBA
1
HBD
76.6
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) CHEMBL2221348 | EC50 | 7.62 | 7.62 | 24.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 69.6 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) | EC50 | = | 24.0 | nM | 7.62 | Activation of human Kv7.2/7.3 expressed in CHOK1 cells | 25987375 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25987375 | 10.1016/j.bmcl.2015.04.074 | Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) | 2 |
| 25987375 | 10.1016/j.bmcl.2015.04.074 | ADMET | 2 |
| 25987375 | 10.1016/j.bmcl.2015.04.074 | Liver microsome | 1 |
Data from ChEMBL 36 via Core Engine