Compound Detail
CHEMBL13504
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Basic Information
| ChEMBL ID | CHEMBL13504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKLHTJKCEKYJKI-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
267.3
MW (Da)
1.21
ALogP
5
HBA
2
HBD
67.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | Kd | 6.8 | 6.15 | 158.5 | 2 |
| Beta-1 adrenergic receptor CHEMBL5471 | Kd | 6.8 | 6.8 | 158.5 | 1 |
| Beta-2 adrenergic receptor CHEMBL5414 | Kd | 5.5 | 5.5 | 3162.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | Kd | = | 158.49 | nM | 6.8 | Negative log concentration effecting 50% blockade of isoproterenol-induced rate ... | 6135805 |
| Beta-1 adrenergic receptor | Kd | = | 158.49 | nM | 6.8 | Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparatio... | 6130154 |
| Cavia porcellus | Kd | = | 3162.28 | nM | 5.5 | Inhibition of isoproterenol-induced responses in guinea pig trachea. | 6135805 |
| Beta-2 adrenergic receptor | Kd | = | 3162.28 | nM | 5.5 | Ability to block Beta-2 adrenergic receptor in guinea pig trachea preparation | 6130154 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6135805 | 10.1021/jm00362a004 | Cavia porcellus | 4 |
| 6130154 | 10.1021/jm00354a003 | Beta-1 adrenergic receptor | 3 |
| 6130154 | 10.1021/jm00354a003 | Beta-2 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine