Compound Detail
CHEMBL16459
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL16459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFHGICWRYGZKGX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
272.7
MW (Da)
3.82
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 6.84 | 6.84 | 142.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Kd | = | 142.89 | nM | 6.84 | Antagonist activity at alpha1-adrenoceptor in rat anococcygeal muscle assessed a... | 21236664 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14980657 | 10.1016/j.bmcl.2003.12.087 | Prostaglandin G/H synthase 2 | 1 |
| 21236664 | 10.1016/j.bmcl.2010.12.080 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine