Molecule Details
| InChIKey | JCCNYMKQOSZNPW-UHFFFAOYSA-N |
|---|---|
| Compound Name | Loratadine |
| Canonical SMILES | CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.0 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00455 |
|---|---|
| Drug Name | Loratadine |
| CAS Number | 79794-75-5 |
| Groups | approved investigational |
| ATC Codes | R06AX13 |
| Description | Loratadine is a second generation antihistamine used to manage symptoms of allergic rhinitis.[A176435] A lack of sedative and CNS adverse effects make loratadine, along with other second generation antihistamines, preferable over their 1st generation counterparts in many clinical situations.[A176441... |
Categories: Anti-Allergic Agents Antihistamines for Systemic Use Antipruritics BSEP/ABCB11 Substrates Benzocycloheptenes Cytochrome P-450 CYP1A1 Substrates Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2B6 Substrates Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 Inhibitors (weak) Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (moderate) Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (weak) Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (weak) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Dermatologicals Dibenzocycloheptenes Histamine Antagonists Histamine H1 Antagonists Histamine H1 Antagonists, Non-Sedating Loratadine and derivatives Neurotransmitter Agents P-glycoprotein inhibitors P-glycoprotein substrates Piperidines Potential QTc-Prolonging Agents QTc Prolonging Agents
Cross-references: BindingDB: 50637414 ChEBI: 6538 CHEMBL998 ChemSpider: 3820 Drugs Product Database (DPD): 1299 D00364 PharmGKB: PA450266 PubChem:3957 PubChem:46507853 RxCUI: 28889 Therapeutic Targets Database: DAP000101 Wikipedia: Loratadine ZINC: ZINC000000537931
Target Activities (4)
DrugBank Target Actions (22)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P22309 | UGT1A1 | UDP-glucuronosyltransferase 1A1 | binder | enzymes |
| P35503 | P35503 | UDP-glucuronosyltransferase 1A3 | binder | enzymes |
| P36537 | P36537 | UDP-glucuronosyltransferase 2B10 | binder | enzymes |
| P54855 | P54855 | UDP-glucuronosyltransferase 2B15 | binder | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | inhibitor | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | inhibitor | enzymes |
| P04798 | CYP1A1 | Cytochrome P450 1A1 | substrate | enzymes |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | substrate | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | substrate | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| P35367 | HRH1 | Histamine H1 receptor | antagonist | targets |
| Q12809 | KCNH2 | Voltage-gated inwardly rectifying potassium channel KCNH2 | antagonist | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |
| O95342 | ABCB11 | Bile salt export pump | substrate | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |