Compound Detail
CHEMBL4250878
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Basic Information
| ChEMBL ID | CHEMBL4250878 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIUPXTKFKKQVLV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
6
PK Parameters
4
Publications
0
Known Names
Molecular Properties
356.5
MW (Da)
5.30
ALogP
3
HBA
1
HBD
32.3
PSA (Ų)
0.81
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily KQT member 2 CHEMBL2476 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 687.21 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 23.61 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 2967.41 | nM | Rattus norvegicus |
| T1/2 | 5.49 | hr | Rattus norvegicus |
| Tmax | 0.03 | hr | Rattus norvegicus |
| Vd | 11.25 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily KQT member 2 | EC50 | = | 20.0 | nM | 7.7 | Channel opening activity at KCNQ2 (unknown origin) expressed in CHO cells after ... | 30061030 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30061030 | 10.1016/j.bmcl.2018.05.019 | ADMET | 18 |
| 30061030 | 10.1016/j.bmcl.2018.05.019 | Rattus norvegicus | 11 |
| 30061030 | 10.1016/j.bmcl.2018.05.019 | Potassium voltage-gated channel subfamily KQT member 2 | 5 |
| 30061030 | 10.1016/j.bmcl.2018.05.019 | Mus musculus | 5 |
Data from ChEMBL 36 via Core Engine