Compound Detail
CHEMBL414019
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Basic Information
| ChEMBL ID | CHEMBL414019 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKLFEQMFZSMKEL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
1.20
ALogP
4
HBA
2
HBD
58.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor beta CHEMBL2094118 | Kd | 7.2 | 6.75 | 63.1 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.03833 | hr | Homo sapiens |
| T1/2 | 0.1133 | hr | Canis lupus familiaris |
| T1/2 | 0.1333 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor beta | Kd | = | 63.1 | nM | 7.2 | In vitro blocking of beta adrenergic receptor in guinea pig trachea | 6146718 |
| Adrenergic receptor beta | Kd | = | 501.19 | nM | 6.3 | In Vitro inhibition of the beta adrenergic receptor in guinea pig atria | 6146718 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6146718 | 10.1021/jm00374a013 | Canis familiaris | 4 |
| 6146718 | 10.1021/jm00374a013 | Adrenergic receptor beta | 2 |
| 6146718 | 10.1021/jm00374a013 | Unchecked | 1 |
| 6146718 | 10.1021/jm00374a013 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine