Compound Detail
CHEMBL289093
BUTOXAMINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL289093 |
| Name | BUTOXAMINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | TWUSDDMONZULSC-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
10
Publications
2
Known Names
Molecular Properties
267.4
MW (Da)
2.51
ALogP
4
HBA
2
HBD
50.7
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Activity Summary
Kd 4 meas. best 6.89
IC50 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL5414 | Kd | 6.89 | 6.89 | 128.8 | 2 |
| Sodium channel alpha subunits; brain (Types I, II, III) CHEMBL2096682 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL5471 | Kd | 4.35 | 4.35 | 44668.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Kd | = | 128.82 | nM | 6.89 | Antagonistic activity against beta-2 adrenergic receptor on isolated guinea pig ... | 2857200 |
| Beta-2 adrenergic receptor | Kd | = | 128.82 | nM | 6.89 | Antagonist activity against beta-2 adrenergic receptor in isolated guinea pig tr... | 2882026 |
| Sodium channel alpha subunits; brain (Types I, II, III) | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on vol... | 2579237 |
| Beta-1 adrenergic receptor | Kd | = | 44668.36 | nM | 4.35 | Antagonistic activity against beta-1 adrenergic receptor of isolated guinea pig ... | 2857200 |
| Beta-1 adrenergic receptor | Kd | = | 44668.36 | nM | 4.35 | Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig at... | 2882026 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2857200 | 10.1021/jm00380a001 | Beta-1 adrenergic receptor | 3 |
| 2857200 | 10.1021/jm00380a001 | Beta-2 adrenergic receptor | 3 |
| 2579237 | 10.1021/jm00381a019 | Sodium channel alpha subunits; brain (Types I, II, III) | 2 |
| 2882026 | 10.1021/jm00387a006 | Beta-1 adrenergic receptor | 2 |
| 2882026 | 10.1021/jm00387a006 | Beta-2 adrenergic receptor | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 2857200 | 10.1021/jm00380a001 | Adrenergic receptor beta; ADRB1 & ADRB2 | 1 |
| 2882026 | 10.1021/jm00387a006 | Unchecked | 1 |
| 22751 | 10.1021/jm00222a023 | Unchecked | 1 |
| 22751 | 10.1021/jm00222a023 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine