Compound Detail
CHEMBL402003
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Basic Information
| ChEMBL ID | CHEMBL402003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFWHXAUYMHHEEF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
284.8
MW (Da)
3.53
ALogP
2
HBA
2
HBD
57.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | EC50 | 6.49 | 6.49 | 322.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | EC50 | = | 322.0 | nM | 6.49 | Agonist activity at human cloned adrenergic alpha-1A receptor expressed in CHO c... | 18400496 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18400496 | 10.1016/j.bmcl.2008.03.070 | Alpha-1A adrenergic receptor | 2 |
| 18400496 | 10.1016/j.bmcl.2008.03.070 | Alpha-1B adrenergic receptor | 1 |
| 18400496 | 10.1016/j.bmcl.2008.03.070 | Alpha-1D adrenergic receptor | 1 |
| 18400496 | 10.1016/j.bmcl.2008.03.070 | Alpha-2A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine