Compound Detail
CHEMBL146100
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Basic Information
| ChEMBL ID | CHEMBL146100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSOORMTWBMMJSJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
193.2
MW (Da)
0.47
ALogP
5
HBA
4
HBD
76.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | IC50 | = | 14.0 | nM | 7.85 | Binding affinity against alpha-2 adrenergic receptor is the ability to inhibit t... | 6142954 |
| Adrenergic receptor alpha-1 | IC50 | = | 5100.0 | nM | 5.29 | Binding affinity against alpha-1 adrenergic receptor is the ability to inhibit t... | 6142954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6142954 | 10.1021/jm00370a011 | Oryctolagus cuniculus | 1 |
| 6142954 | 10.1021/jm00370a011 | Adrenergic receptor alpha-1 | 1 |
| 6142954 | 10.1021/jm00370a011 | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine