Compound Detail
CHEMBL13098
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Basic Information
| ChEMBL ID | CHEMBL13098 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUIBNCVQJXNPNH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
1.09
ALogP
7
HBA
3
HBD
114.0
PSA (Ų)
0.37
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | Kd | 7.1 | 6.95 | 79.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | Kd | = | 79.43 | nM | 7.1 | Inhibition of isoproterenol-induced responses in guinea pig trachea. | 6135805 |
| Cavia porcellus | Kd | = | 158.49 | nM | 6.8 | Negative log concentration effecting 50% blockade of isoproterenol-induced rate ... | 6135805 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6135805 | 10.1021/jm00362a004 | Cavia porcellus | 4 |
Data from ChEMBL 36 via Core Engine