Compound Detail
CHEMBL13198
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Basic Information
| ChEMBL ID | CHEMBL13198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVJLTPGFOWEHDM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
444.9
MW (Da)
3.43
ALogP
7
HBA
4
HBD
100.0
PSA (Ų)
0.22
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | Kd | 6.2 | 6.2 | 631.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | Kd | = | 630.96 | nM | 6.2 | Negative log concentration effecting 50% blockade of isoproterenol-induced rate ... | 6135805 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6135805 | 10.1021/jm00362a004 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine