Compound Detail
CHEMBL136560
(1R,2S)-PHENYLPROPANOLAMINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL136560 |
| Name | (1R,2S)-PHENYLPROPANOLAMINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLNKOYKMWOXYQA-CBAPKCEASA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
151.2
MW (Da)
1.07
ALogP
2
HBA
2
HBD
46.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.24
Ki 3 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL326 | Ki | 5.08 | 5.08 | 8400.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL3122 | Ki | 5.02 | 5.02 | 9600.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 5.01 | 5.01 | 9800.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL326 | EC50 | 4.24 | 4.24 | 58000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor | Ki | = | 8400.0 | nM | 5.08 | Binding affinity towards rat cloned Alpha-1D adrenergic receptor; value ranges f... | 12238918 |
| Alpha-1B adrenergic receptor | Ki | = | 9600.0 | nM | 5.02 | Binding affinity towards hamster cloned Alpha-1B adrenergic receptor mean;value ... | 12238918 |
| Alpha-1A adrenergic receptor | Ki | = | 9800.0 | nM | 5.01 | Binding affinity towards rat submaxillary gland Alpha-1 adrenergic receptor; val... | 12238918 |
| Alpha-1D adrenergic receptor | EC50 | = | 58000.0 | nM | 4.24 | Effective concentration in vitro against rat aorta Alpha-1D adrenergic receptor;... | 12238918 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20014752 | 10.1021/tx900326k | Hepatotoxicity | 3 |
| 3172133 | 10.1021/jm00118a021 | ADMET | 2 |
| 12238918 | 10.1021/jm025550h | Alpha-1A adrenergic receptor | 2 |
| 12238918 | 10.1021/jm025550h | Alpha-1B adrenergic receptor | 2 |
| 12238918 | 10.1021/jm025550h | Alpha-1D adrenergic receptor | 2 |
| 12238918 | 10.1021/jm025550h | Adrenergic receptors; alpha-1 A & B | 2 |
| 12238918 | 10.1021/jm025550h | Alpha adrenergic receptor (1a and 1d) | 2 |
| 12238918 | 10.1021/jm025550h | Canis familiaris | 2 |
| 12238918 | 10.1021/jm025550h | Rattus norvegicus | 2 |
| 3172133 | 10.1021/jm00118a021 | Phenylethanolamine N-methyltransferase | 1 |
| 7365744 | 10.1021/jm00177a017 | Serotonin (5-HT) receptor | 1 |
| 12238918 | 10.1021/jm025550h | Unchecked | 1 |
| 12238918 | 10.1021/jm025550h | Oryctolagus cuniculus | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
Data from ChEMBL 36 via Core Engine