Amorolfine
D01A - Antifungals for topical use
ATC D01AE16
Small molecule
Natural product
JFDA label: Arinell 50mg/ml Nail Lacquer
Indications
Off-label
Pregnancy & Lactation
Chemistry & Properties
| Formula | C21H35NO |
|---|
| Molecular weight | 317.52 g/mol |
|---|
| IUPAC name | (2S,6R)-2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine |
|---|
| CAS | 78613-35-1 |
|---|
| PubChem CID | 54260 |
|---|
| InChIKey | MQHLMHIZUIDKOO-AYHJJNSGSA-N |
|---|
| logP | 4.66 (XLogP 5.7) |
|---|
| Polar surface area | 12.47 Ų |
|---|
| H-bond acceptors / donors | 2 / 0 |
|---|
| Drug-likeness (QED) | 0.76 |
|---|
| Lipinski violations | 0 |
|---|
SMILES
CCC(C)(C)c1ccc(CC(C)CN2C[C@@H](C)O[C@@H](C)C2)cc1Biology & Pharmacokinetics
Pharmacokinetics predicted
| Bioavailability | 10.0% |
|---|
| Half-life | 0.67 h |
|---|
| Volume of distribution | 3.063 L/kg |
|---|
| Protein binding | 97.1% |
|---|
| BBB penetrant | Yes |
|---|
Enzyme interactions
| Enzyme | Role | Detail |
|---|
| CYP2B6 | Inhibitor |
— |
| CYP2C19 | Substrate |
— |
| CYP2C8 | Inhibitor |
— |
| CYP2D6 | Inhibitor |
— |
| CYP3A4 | Substrate |
— |
Receptor binding (top 1)
| Target | Action | Affinity |
|---|
| Nav1.7 (SCN9A) |
Channel blocker |
pIC50 5.2 |
Transporters
BCRP (Inhibitor)BSEP (Inhibitor)MRP1 (Inhibitor)OATP1B1 (Inhibitor)OATP1B3 (Inhibitor)P-gp (Inhibitor)P-gp (Substrate)
Registered Products (1)
| Brand | Form / strength | Pack | Agent | Citizen (JOD) |
|---|
| Arinell 50mg/ml Nail Lacquer
|
Injection 55.74 mg/ml |
2.5 ml |
UNITED PHARM.MFG.CO.LTD(UPM)/JORDAN |
9.620 |