Compound Detail
CHEMBL348538
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 | CHEMBL348538 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWBLYAGFFUSJCB-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
188.3
MW (Da)
2.16
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL4744 | Ki | 5.7 | 5.7 | 1995.3 | 2 |
| Alpha-1A adrenergic receptor CHEMBL4892 | Ki | 5.49 | 5.49 | 3235.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | Ki | = | 1995.26 | nM | 5.7 | Compound was evaluated for log 1/Ki at alpha-2 adrenergic receptor | 2831365 |
| Alpha-2A adrenergic receptor | Ki | = | 2000.0 | nM | 5.7 | Affinity to alpha-2 adrenergic receptor by the displacement of [3H]clonidine fro... | 2831365 |
| Alpha-1A adrenergic receptor | Ki | = | 3235.94 | nM | 5.49 | Compound was evaluated for log 1/Ki at alpha-1 adrenergic receptor | 2831365 |
| Alpha-1A adrenergic receptor | Ki | = | 3250.0 | nM | 5.49 | Affinity to alpha-1 adrenergic receptor by the displacement of [3H]-prazosin fro... | 2831365 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2831365 | 10.1021/jm00398a025 | Alpha-1A adrenergic receptor | 2 |
| 2831365 | 10.1021/jm00398a025 | Alpha-2A adrenergic receptor | 2 |
| 2831365 | 10.1021/jm00398a025 | No relevant target | 1 |
| 2831365 | 10.1021/jm00398a025 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine