Compound Detail
CHEMBL420184
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL420184 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTAVBIPIYWDCNO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
399.6
MW (Da)
3.59
ALogP
5
HBA
0
HBD
36.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 7.85 | 7.85 | 14.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor | Ki | = | 12.0 | nM | 7.92 | Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in... | 12127524 |
| Alpha-1A adrenergic receptor | Ki | = | 14.0 | nM | 7.85 | Displacement of [125I]HEAT from COS cell membranes expressing human Alpha-1A adr... | 12127524 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12127524 | 10.1016/s0960-894x(02)00347-5 | Alpha-1A adrenergic receptor | 1 |
| 12127524 | 10.1016/s0960-894x(02)00347-5 | Alpha-1B adrenergic receptor | 1 |
| 12127524 | 10.1016/s0960-894x(02)00347-5 | Alpha-1D adrenergic receptor | 1 |
| 12127524 | 10.1016/s0960-894x(02)00347-5 | Adrenergic receptors; alpha-1 A & B | 1 |
| 12127524 | 10.1016/s0960-894x(02)00347-5 | Alpha adrenergic receptor (1a and 1d) | 1 |
Data from ChEMBL 36 via Core Engine