Molecule Details
| InChIKey | JAUOIFJMECXRGI-UHFFFAOYSA-N |
|---|---|
| Compound Name | Desloratadine |
| Canonical SMILES | Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 13 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.99 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00967 |
|---|---|
| Drug Name | Desloratadine |
| CAS Number | 100643-71-8 |
| Groups | approved investigational |
| ATC Codes | R06AX27 |
| Description | Desloratadine is a second generation, tricyclic antihistamine that which has a selective and peripheral H1-antagonist action. It is the active descarboethoxy metabolite of loratidine (a second generation histamine). Desloratidine has a long-lasting effect and does not cause drowsiness because it doe... |
Categories: Anticholinergic Agents Antihistamines for Systemic Use Benzocycloheptenes Central Nervous System Depressants Cholinergic Agents Dibenzocycloheptenes Histamine Agents Histamine Antagonists Histamine H1 Antagonists Histamine H1 Antagonists, Non-Sedating Loratadine and derivatives Moderate Risk QTc-Prolonging Agents Neurotransmitter Agents P-glycoprotein inhibitors Piperidines QTc Prolonging Agents
Cross-references: BindingDB: 50073179 ChEBI: 291342 CHEMBL1172 ChemSpider: 110575 Drugs Product Database (DPD): 12210 D03693 PDB: Y5R PharmGKB: PA164776964 PubChem:124087 PubChem:46507996 RxCUI: 275635 Therapeutic Targets Database: DAP000331 Wikipedia: Desloratadine ZINC: ZINC000000001261
Target Activities (13)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35367 | HRH1 | Homo sapiens | Human | PF00001 | 8.9 | IC50 | ChEMBL |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 7.8 | IC50 | ChEMBL |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 7.7 | IC50 | ChEMBL |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 7.5 | IC50 | ChEMBL |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 7.2 | IC50 | ChEMBL |
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 6.9 | IC50 | ChEMBL |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 6.9 | IC50 | ChEMBL |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 6.8 | IC50 | ChEMBL |
| P08912 | CHRM5 | Homo sapiens | Human | PF00001 | 6.6 | IC50 | ChEMBL |
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 6.6 | IC50 | ChEMBL |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL |
| P50406 | HTR6 | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL |