Compound Detail
CHEMBL146419
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Basic Information
| ChEMBL ID | CHEMBL146419 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSHRDKPBUUXBAF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
207.3
MW (Da)
1.52
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | IC50 | = | 17.0 | nM | 7.77 | 50% inhibition of specific [3H]clonidine binding (0.4 nM) to Alpha-2 adrenergic ... | 6142954 |
| Adrenergic receptor alpha-1 | IC50 | = | 39000.0 | nM | 4.41 | Binding affinity against alpha-1 adrenergic receptor is the ability to inhibit t... | 6142954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| 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 |
| 7097723 | 10.1021/jm00348a018 | Canis familiaris | 1 |
| 1246056 | 10.1021/jm00223a016 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine