Compound Detail
CHEMBL545646
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Basic Information
| ChEMBL ID | CHEMBL545646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIKCFHIGSXCOHB-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1194128 |
| Active Moiety | CHEMBL1194128 |
3
Targets
9
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
226.3
MW (Da)
2.80
ALogP
2
HBA
1
HBD
24.4
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.4
Kd 3 meas. best 7.19
Ki 3 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 7.92 | 7.92 | 12.0 | 2 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Kd | 7.19 | 7.19 | 64.6 | 2 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 7.08 | 7.08 | 83.2 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.83 | 6.83 | 148.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.4 | 5.0667 | 400.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3039138 | 10.1021/jm00391a034 | Adrenergic receptor alpha-2 | 4 |
| 3039138 | 10.1021/jm00391a034 | Rattus norvegicus | 4 |
| 3039138 | 10.1021/jm00391a034 | Mus musculus | 2 |
| 3039138 | 10.1021/jm00391a034 | Adrenergic receptor alpha-1 | 2 |
| 3039138 | 10.1021/jm00391a034 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine