Compound Detail
CHEMBL1237158
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Basic Information
| ChEMBL ID | CHEMBL1237158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPHGCPDJBLTTQV-UHFFFAOYSA-N |
| Parent Compound | CHEMBL346979 |
| Active Moiety | CHEMBL346979 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
216.2
MW (Da)
1.79
ALogP
3
HBA
1
HBD
47.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Kd | 6.1 | 6.1 | 794.3 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 4.22 | 4.22 | 60256.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Kd | = | 794.33 | nM | 6.1 | Antagonistic activity against Alpha-2 adrenergic receptor in the prostatic porti... | 6124635 |
| Adrenergic receptor alpha-1 | Kd | = | 60255.96 | nM | 4.22 | Antagonistic activity against Alpha-1 adrenergic receptor in the epidermal porti... | 6124635 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6124635 | 10.1021/jm00348a012 | No relevant target | 1 |
| 6124635 | 10.1021/jm00348a012 | Adrenergic receptor alpha-2 | 1 |
| 6124635 | 10.1021/jm00348a012 | Adrenergic receptor alpha-1 | 1 |
| 6124635 | 10.1021/jm00348a012 | Adrenergic receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine