Compound Detail
CHEMBL1669496
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Basic Information
| ChEMBL ID | CHEMBL1669496 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JODYTCTXNHAODA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
5.05
ALogP
5
HBA
0
HBD
45.9
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 8.18 | 8.18 | 6.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Kd | = | 6.653 | nM | 8.18 | Antagonist activity at alpha1-adrenoceptor in rat anococcygeal muscle assessed a... | 21236664 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21236664 | 10.1016/j.bmcl.2010.12.080 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine