Compound Detail
CHEMBL900
ORPHENADRINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL900 |
| Name | ORPHENADRINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | QVYRGXJJSLMXQH-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
24
Targets
46
Activities
2
Assay Types
2
PK Parameters
20
Publications
8
Known Names
1
Indications
Molecular Properties
269.4
MW (Da)
3.66
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1957 |
| Availability | Prescription |
| Chirality | Racemic |
Indications
Low Back Pain
ATC Classification
M03BC51
orphenadrine, combinations
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: MUSCLE RELAXANTS
Activity Summary
IC50 27 meas. best 7.55
Ki 19 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 7.77 | 7.77 | 17.0 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 7.44 | 7.44 | 36.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 7.43 | 7.43 | 37.0 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | IC50 | 6.9 | 6.9 | 125.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.9 | 6.9 | 125.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 6.87 | 6.87 | 134.0 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 6.84 | 6.84 | 144.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 6.83 | 6.83 | 148.0 | 1 |
| Histamine H1 receptor CHEMBL4701 | IC50 | 6.79 | 6.79 | 162.2 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 6.76 | 6.76 | 175.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 6.61 | 6.61 | 243.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.55 | 6.55 | 280.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | IC50 | 6.42 | 6.42 | 376.0 | 1 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 6.36 | 6.36 | 436.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 6.34 | 6.34 | 458.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 6.28 | 6.28 | 521.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 6.27 | 6.27 | 534.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.09 | 6.09 | 809.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 6.07 | 6.07 | 851.1 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 6.06 | 6.06 | 865.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 5.95 | 5.95 | 1121.0 | 1 |
| Histamine H1 receptor CHEMBL231 | IC50 | 5.91 | 4.96 | 1241.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 5.77 | 5.7033 | 1698.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 5.76 | 5.595 | 1746.0 | 4 |
| Alpha-2B adrenergic receptor CHEMBL1942 | IC50 | 5.72 | 5.72 | 1895.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 5.67 | 5.67 | 2158.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | IC50 | 5.67 | 5.67 | 2156.0 | 1 |
| Solute carrier family 22 member 2 CHEMBL1743122 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 5.58 | 5.58 | 2643.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 5.57 | 5.57 | 2666.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 5.47 | 5.47 | 3391.0 | 1 |
| Glutamate [NMDA] receptor CHEMBL2094124 | Ki | 5.22 | 5.22 | 6000.0 | 1 |
| Histamine H2 receptor CHEMBL1941 | Ki | 5.17 | 5.17 | 6845.0 | 1 |
| Histamine H2 receptor CHEMBL1941 | IC50 | 5.16 | 5.16 | 6961.0 | 1 |
| Solute carrier family 22 member 1 CHEMBL5685 | IC50 | 4.9 | 4.9 | 12600.0 | 1 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 4.62 | 4.62 | 24200.0 | 1 |
| Multidrug and toxin extrusion protein 1 CHEMBL1743126 | IC50 | 4.19 | 4.19 | 65000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 150.0 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| Cmax | 310.0 | nM | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine