W54011
SMILES | COc1ccc2c(c1)C(CCC2)C(=O)N(c1ccc(cc1)C(C)C)Cc1ccc(cc1)N(C)C |
InChIKey | DVYASSBBADJRAS-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 0 |
Rotatable bonds | 7 |
Molecular weight (Da) | 456.3 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CysLT1 | CLTR1 | Human | Leukotriene | A | pA2 | 6.4 | 6.4 | 6.4 | Guide to Pharmacology |
CysLT2 | CLTR2 | Human | Leukotriene | A | pA2 | 8.350000000000001 | 8.35 | 8.35 | Guide to Pharmacology |
CysLT2 | CLTR2 | Human | Leukotriene | A | pIC50 | 6.56 | 6.92 | 7.28 | Guide to Pharmacology |
CysLT2 | CLTR2 | Human | Leukotriene | A | pIC50 | 7.28 | 7.28 | 7.28 | ChEMBL |