Compound Detail
CHEMBL145857
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Basic Information
| ChEMBL ID | CHEMBL145857 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUAILLRXYSNSTK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
221.3
MW (Da)
2.58
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 7.64 | 7.64 | 23.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 23.0 | nM | 7.64 | In vitro binding affinity against alpha-2 adrenergic receptor in rat | 10602691 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10602691 | 10.1021/jm990005a | Adrenergic receptor alpha-2 | 1 |
| 10602691 | 10.1021/jm990005a | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine