Molecule Details
| InChIKey | DOMXUEMWDBAQBQ-WEVVVXLNSA-N |
|---|---|
| Compound Name | Terbinafine |
| Canonical SMILES | CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.89 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00857 |
|---|---|
| Drug Name | Terbinafine |
| CAS Number | 91161-71-6 |
| Groups | approved investigational vet_approved |
| ATC Codes | D01AE15 D01BA02 |
| Description | Terbinafine hydrochloride (Lamisil) is a synthetic allylamine antifungal.[L9065,L9068] It is highly lipophilic in nature and tends to accumulate in skin, nails, and fatty tissues.[A1279] Like other allylamines, terbinafine inhibits ergosterol synthesis by inhibiting the fungal squalene monooxygenase... |
Categories: Agents Causing Muscle Toxicity Allylamine Antifungal Allylamines Anti-Infective Agents Antifungal Agents Antifungals for Dermatological Use Antifungals for Systemic Use Antifungals for Topical Use Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (weak) Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (moderate) Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Dermatologicals Enzyme Inhibitors Naphthalenes
Cross-references: BindingDB: 50018518 ChEBI: 9448 CHEMBL822 ChemSpider: 1266005 Drugs Product Database (DPD): 11385 C08079 D02375 PharmGKB: PA451614 PubChem:1549008 PubChem:46508519 RxCUI: 37801 Therapeutic Targets Database: DAP000753 Wikipedia: Terbinafine ZINC: ZINC000001530981
Target Activities (3)
DrugBank Target Actions (13)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02763 | P02763 | alpha1-acid glycoprotein | binder | carriers |
| P02768 | ALB | Albumin | binder | carriers |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inducer | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | substrate | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P23219 | PTGS1 | Prostaglandin G/H synthase 1 | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| Q14534 | SQLE | Squalene monooxygenase | inhibitor | targets |
| Q92206 | ERG1 | Squalene epoxidase ERG1 | inhibitor | targets |
| A0A059JJ46 | A0A059JJ46 | ABC multidrug transporter MDR2 | substrate | transporters |