pranlukast
| SMILES | O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1[nH]nnn1 |
| InChIKey | NBQKINXMPLXUET-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 481.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
| Structure pdb | 6RZ4 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| TRH1 | TRFR | Rat | Thyrotropin-releasing hormone | A | pKi | 7.4 | 7.4 | 7.4 | Guide to Pharmacology |
| TRH1 | TRFR | Rat | Thyrotropin-releasing hormone | A | pKi | 7.37 | 7.54 | 7.7 | ChEMBL |
| motilin | Q9R297 | Rat | Motilin | A | pKi | 8.0 | 8.0 | 8.0 | ChEMBL |
| TRH1 | TRHR | Mouse | Thyrotropin-releasing hormone | A | pKi | 7.64 | 7.82 | 8.0 | ChEMBL |
| TRH1 | TRHR | Mouse | Thyrotropin-releasing hormone | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| motilin | Q9R297 | Rat | Motilin | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| TRH1 | TRFR | Human | Thyrotropin-releasing hormone | A | pKi | 7.7 | 7.7 | 7.7 | ChEMBL |
| TRH1 | TRFR | Human | Thyrotropin-releasing hormone | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| TRH1 | TRFR | Rat | Thyrotropin-releasing hormone | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| TRH1 | TRFR | Rat | Thyrotropin-releasing hormone | A | pEC50 | 8.52 | 8.52 | 8.52 | ChEMBL |
| motilin | Q9R297 | Rat | Motilin | A | pEC50 | 8.52 | 8.52 | 8.52 | ChEMBL |
| motilin | Q9R297 | Rat | Motilin | A | pIC50 | 7.64 | 7.64 | 7.64 | ChEMBL |
| TRH1 | TRHR | Mouse | Thyrotropin-releasing hormone | A | pEC50 | 8.49 | 8.99 | 9.31 | ChEMBL |
| TRH1 | TRHR | Mouse | Thyrotropin-releasing hormone | A | pIC50 | 7.58 | 8.09 | 8.59 | ChEMBL |
| TRH1 | TRFR | Human | Thyrotropin-releasing hormone | A | pEC50 | 8.52 | 8.52 | 8.52 | ChEMBL |