Compound Detail
CHEMBL4212656
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Basic Information
| ChEMBL ID | CHEMBL4212656 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NACVEUIUKZPVQS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
405.6
MW (Da)
2.86
ALogP
5
HBA
1
HBD
62.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 4 CHEMBL3638324 | IC50 | 7.28 | 7.28 | 53.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 28.0 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 4 | IC50 | = | 53.0 | nM | 7.28 | Antagonist activity at human GPR4 expressed in human HeLa cells assessed as inhi... | 28445047 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 23000.0 | nM | 4.64 | Displacement of [3H]dofetilide from recombinant human ERG expressed in HEK293 ce... | 28445047 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28445047 | 10.1021/acs.jmedchem.6b01703 | Rattus norvegicus | 2 |
| 28445047 | 10.1021/acs.jmedchem.6b01703 | Histamine H3 receptor | 1 |
| 28445047 | 10.1021/acs.jmedchem.6b01703 | Unchecked | 1 |
| 28445047 | 10.1021/acs.jmedchem.6b01703 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 28445047 | 10.1021/acs.jmedchem.6b01703 | G-protein coupled receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine