Compound Detail
CHEMBL1137
4-HYDROXYPROPRANOLOL SULFATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1137 |
| Name | 4-HYDROXYPROPRANOLOL SULFATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWEPACWBWIOYID-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
4
PK Parameters
14
Publications
1
Known Names
Molecular Properties
275.4
MW (Da)
2.28
ALogP
4
HBA
3
HBD
61.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 5 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL2289 | Kd | 8.62 | 8.62 | 2.4 | 1 |
| Beta-1 adrenergic receptor CHEMBL5471 | Kd | 8.24 | 8.24 | 5.8 | 1 |
| Canis familiaris CHEMBL373 | Kd | 7.54 | 7.46 | 28.8 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 248.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 5.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 66.0 | mL.min-1.kg-1 | Homo sapiens |
| Fu | 0.26 | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Kd | = | 2.399 | nM | 8.62 | Compound was evaluated for competitive antagonism of beta-2 adrenergic receptor ... | 6330358 |
| Beta-1 adrenergic receptor | Kd | = | 5.754 | nM | 8.24 | Compound was evaluated for competitive antagonism of beta-1 adrenergic receptor ... | 6330358 |
| Canis familiaris | Kd | = | 28.84 | nM | 7.54 | Compound was tested for its ability to block isoproterenol-induced contractile f... | 6115057 |
| Canis familiaris | Kd | = | 31.62 | nM | 7.5 | Compound was tested for its ability to block isoproterenol-induced vasodilation ... | 6115057 |
| Canis familiaris | Kd | = | 45.71 | nM | 7.34 | Compound was tested for its ability to block isoproterenol-induced increases in ... | 6115057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6115057 | 10.1021/jm00135a014 | Canis familiaris | 5 |
| 23454828 | 10.1124/dmd.112.050278 | Homo sapiens | 3 |
| 2861287 | 10.1021/jm00383a023 | Adrenergic receptor beta; ADRB1 & ADRB2 | 1 |
| 2861287 | 10.1021/jm00383a023 | Beta-1 adrenergic receptor | 1 |
| 2861287 | 10.1021/jm00383a023 | Beta-2 adrenergic receptor | 1 |
| 6330358 | 10.1021/jm00373a008 | Beta-1 adrenergic receptor | 1 |
| 6330358 | 10.1021/jm00373a008 | Beta-2 adrenergic receptor | 1 |
| 6115057 | 10.1021/jm00135a014 | No relevant target | 1 |
| 6115057 | 10.1021/jm00135a014 | Unchecked | 1 |
| 423187 | 10.1021/jm00187a018 | Heart | 1 |
| 423187 | 10.1021/jm00187a018 | ADMET | 1 |
| 423187 | 10.1021/jm00187a018 | Unchecked | 1 |
| 423187 | 10.1021/jm00187a018 | No relevant target | 1 |
| 23454828 | 10.1124/dmd.112.050278 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine