Compound Detail
CHEMBL3216590
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Basic Information
| ChEMBL ID | CHEMBL3216590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNDMPEJJAWXNBF-CKUXDGONSA-N |
| Parent Compound | CHEMBL3040803 |
| Active Moiety | CHEMBL3040803 |
8
Targets
9
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
2.47
ALogP
6
HBA
2
HBD
61.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 5 meas. best 9.08
Ki 4 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1B adrenergic receptor CHEMBL315 | Kd | 9.08 | 9.08 | 0.8 | 1 |
| Alpha-1D adrenergic receptor CHEMBL326 | Kd | 8.62 | 8.62 | 2.4 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | Kd | 8.44 | 8.235 | 3.6 | 2 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 8.42 | 8.42 | 3.8 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 7.89 | 7.89 | 12.9 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 7.45 | 7.45 | 35.5 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.96 | 6.96 | 109.7 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Kd | 6.05 | 6.05 | 891.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23902232 | 10.1021/jm400867d | Unchecked | 4 |
| 23902232 | 10.1021/jm400867d | Alpha-1A adrenergic receptor | 3 |
| 23902232 | 10.1021/jm400867d | Alpha-1D adrenergic receptor | 2 |
| 23902232 | 10.1021/jm400867d | Alpha-1B adrenergic receptor | 2 |
| 23902232 | 10.1021/jm400867d | Adrenergic receptor alpha-2 | 1 |
| 23902232 | 10.1021/jm400867d | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine