Compound Detail
CHEMBL29907
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Basic Information
| ChEMBL ID | CHEMBL29907 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNKMCGSVNLLYKM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
449.6
MW (Da)
3.05
ALogP
10
HBA
3
HBD
124.5
PSA (Ų)
0.30
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL326 | Kd | 7.34 | 7.34 | 45.7 | 1 |
| Alpha-1B adrenergic receptor CHEMBL315 | Kd | 6.94 | 6.94 | 114.8 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | Kd | 5.75 | 5.75 | 1778.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor | Kd | = | 45.71 | nM | 7.34 | Antagonistic affinity against Alpha-1D adrenergic receptor was determined in iso... | 9871765 |
| Alpha-1B adrenergic receptor | Kd | = | 114.82 | nM | 6.94 | Antagonistic affinity against Alpha-1B adrenergic receptor was determined in iso... | 9871765 |
| Alpha-1A adrenergic receptor | Kd | = | 1778.28 | nM | 5.75 | Antagonistic affinity against Alpha-1A adrenergic receptor was determined in iso... | 9871765 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871765 | 10.1016/s0960-894x(98)00217-0 | Alpha-1A adrenergic receptor | 1 |
| 9871765 | 10.1016/s0960-894x(98)00217-0 | Alpha-1B adrenergic receptor | 1 |
| 9871765 | 10.1016/s0960-894x(98)00217-0 | Alpha-1D adrenergic receptor | 1 |
| 9871765 | 10.1016/s0960-894x(98)00217-0 | Adrenergic receptor alpha-2 | 1 |
| 9871765 | 10.1016/s0960-894x(98)00217-0 | D(2) dopamine receptor | 1 |
| 9871765 | 10.1016/s0960-894x(98)00217-0 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine