Compound Detail
CHEMBL37962
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Basic Information
| ChEMBL ID | CHEMBL37962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVDSNJHEPXTSHN-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1178700 |
| Active Moiety | CHEMBL1178700 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
4.31
ALogP
4
HBA
0
HBD
30.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 6.59 | 6.59 | 257.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 6.08 | 6.08 | 831.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1B adrenergic receptor | Ki | = | 257.04 | nM | 6.59 | Affinity constant towards human recombinant Alpha-1B adrenergic receptor using [... | 12672251 |
| Alpha-1A adrenergic receptor | Ki | = | 831.76 | nM | 6.08 | Affinity constant towards human recombinant Alpha-1A adrenergic receptor using [... | 12672251 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12672251 | 10.1021/jm021078o | Alpha-1A adrenergic receptor | 2 |
| 12672251 | 10.1021/jm021078o | Alpha-1B adrenergic receptor | 2 |
| 12672251 | 10.1021/jm021078o | Alpha-1D adrenergic receptor | 2 |
| 12672251 | 10.1021/jm021078o | Unchecked | 2 |
| 12672251 | 10.1021/jm021078o | Alpha adrenergic receptor 1A and 1D | 1 |
| 12672251 | 10.1021/jm021078o | Alpha adrenergic receptor 1A and 1B | 1 |
| 12672251 | 10.1021/jm021078o | Alpha adrenergic receptor (1a and 1d) | 1 |
| 12672251 | 10.1021/jm021078o | Adrenergic receptors; alpha-1 A & B | 1 |
Data from ChEMBL 36 via Core Engine