desloratadine
| SMILES | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 |
| InChIKey | JAUOIFJMECXRGI-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 0 |
| Molecular weight (Da) | 310.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
| Structure pdb | 8X64 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
GTP
| Uniprot
| Species
| Family
| Class
| Type
| Min | Avg | Max | Database
|
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.03 | 8.03 | 8.03 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.55 | 7.55 | 7.55 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.8 | 7.8 | 7.8 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.19 | 6.19 | 6.19 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pKi | 9.01 | 9.01 | 9.01 | Guide to Pharmacology |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.8 | 8.92 | 9.01 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKd | 7.62 | 7.62 | 7.62 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
| H2 | HRH2 | Human | Histamine | A | pKi | 5.97 | 5.97 | 5.97 | ChEMBL |
| H2 | HRH2 | Human | Histamine | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| H4 | HRH4 | Human | Histamine | A | pKi | 4.8 | 4.8 | 4.8 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 7.19 | 7.19 | 7.19 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 7.42 | 7.42 | 7.42 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 7.02 | 7.02 | 7.02 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 7.33 | 7.33 | 7.33 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 6.68 | 6.68 | 6.68 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 5.7 | 5.7 | 5.7 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.01 | 6.01 | 6.01 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
Showing 1 to 31 of 31 entries
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
GTP
| Uniprot
| Species
| Family
| Class
| Type
| Min | Avg | Max | Database
|
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 7.48 | 7.48 | 7.48 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 7.37 | 7.37 | 7.37 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 7.52 | 7.52 | 7.52 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 5.66 | 5.66 | 5.66 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 5.72 | 5.72 | 5.72 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pIC50 | 4.8 | 6.58 | 8.73 | ChEMBL |
| H2 | HRH2 | Human | Histamine | A | pIC50 | 5.96 | 5.96 | 5.96 | ChEMBL |
| H4 | HRH4 | Human | Histamine | A | pIC50 | 8.32 | 8.32 | 8.32 | Drug Central |
| H4 | HRH4 | Human | Histamine | A | pIC50 | 4.8 | 4.8 | 4.8 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.57 | 6.57 | 6.57 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.97 | 6.97 | 6.97 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.35 | 6.35 | 6.35 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.47 | 6.47 | 6.47 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.54 | 6.54 | 6.54 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 5.44 | 5.44 | 5.44 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 5.67 | 5.67 | 5.67 | ChEMBL |
Showing 1 to 16 of 16 entries