Compound Detail
CHEMBL4785526
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 | CHEMBL4785526 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COCNNTPCKDDPMD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
463.6
MW (Da)
5.05
ALogP
5
HBA
1
HBD
57.9
PSA (Ų)
0.38
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1B adrenergic receptor CHEMBL232 | IC50 | 8.01 | 8.01 | 9.8 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | IC50 | 6.42 | 6.42 | 377.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1B adrenergic receptor | IC50 | = | 9.8 | nM | 8.01 | Antagonist activity at human alpha1B receptor transfected in HEK293 cells co-tra... | 32949920 |
| Alpha-1D adrenergic receptor | IC50 | = | 377.7 | nM | 6.42 | Antagonist activity at human alpha1D receptor transfected in HEK293 cells co-tra... | 32949920 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32949920 | 10.1016/j.ejmech.2020.112616 | Alpha-1A adrenergic receptor | 1 |
| 32949920 | 10.1016/j.ejmech.2020.112616 | Alpha-1B adrenergic receptor | 1 |
| 32949920 | 10.1016/j.ejmech.2020.112616 | Alpha-1D adrenergic receptor | 1 |
| 32949920 | 10.1016/j.ejmech.2020.112616 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine