Khellin
P02C - Antinematodal agents
ATC P02CB01
Small molecule
Natural product
JFDA label: Coli-Urinal granules
Chemistry & Properties
| Formula | C14H12O5 |
|---|
| Molecular weight | 260.24 g/mol |
|---|
| IUPAC name | 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one |
|---|
| CAS | 82-02-0 |
|---|
| PubChem CID | 3828 |
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| InChIKey | HSMPDPBYAYSOBC-UHFFFAOYSA-N |
|---|
| logP | 2.86 (XLogP 2.3) |
|---|
| Polar surface area | 61.81 Ų |
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| H-bond acceptors / donors | 5 / 0 |
|---|
| Drug-likeness (QED) | 0.71 |
|---|
| Lipinski violations | 0 |
|---|
SMILES
COc1c2occc2c(OC)c2c(=O)cc(C)oc12Biology & Pharmacokinetics
Pharmacokinetics predicted
| Bioavailability | 10.0% |
|---|
| Half-life | 1.09 h |
|---|
| Volume of distribution | 0.638 L/kg |
|---|
| Protein binding | 94.1% |
|---|
| BBB penetrant | No |
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Enzyme interactions
| Enzyme | Role | Detail |
|---|
| CYP1A2 | Inhibitor |
Ki 0.030999999999999996 µM |
| CYP1A2 | Substrate |
— |
| CYP2C19 | Inhibitor |
— |
Transporters
BCRP (Inhibitor)BSEP (Inhibitor)MRP1 (Inhibitor)OATP1B1 (Inhibitor)OATP1B1 (Inhibitor)OATP1B3 (Inhibitor)P-gp (Inhibitor)P-gp (Substrate)
Registered Products (1)
| Brand | Form / strength | Pack | Agent | Citizen (JOD) |
|---|
| Coli-Urinal granules
|
Granules 35 mg, 3 g, 10 g |
60 g |
Petra Drug Store |
1.410 |