sulukast
SMILES | CCCCCCCCC/C=C\C=C\[C@H]([C@H](c1cccc(c1)c1nnn[nH]1)O)SCCC(=O)O |
InChIKey | YPHOSUPSOWQQCB-AFOLHBCXSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 17 |
Molecular weight (Da) | 472.3 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NK1 | NK1R | Guinea pig | Tachykinin | A | pKd | 7.2 | 7.2 | 7.2 | ChEMBL |
NK1 | NK1R | Rat | Tachykinin | A | pKi | 8.38 | 8.38 | 8.38 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NK1 | NK1R | Mouse | Tachykinin | A | pIC50 | 8.06 | 8.06 | 8.06 | ChEMBL |
NK1 | NK1R | Guinea pig | Tachykinin | A | pIC50 | 7.5 | 7.5 | 7.5 | ChEMBL |
NK1 | NK1R | Human | Tachykinin | A | pIC50 | 7.31 | 7.41 | 7.52 | ChEMBL |
NK1 | NK1R | Human | Tachykinin | A | pIC50 | 7.7 | 7.7 | 7.7 | Guide to Pharmacology |
TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.8 | 4.8 | 4.8 | ChEMBL |
NK1 | NK1R | Rat | Tachykinin | A | pIC50 | 5.38 | 7.22 | 8.17 | ChEMBL |