CHEMBL1532025
SMILES | O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(C(=O)O)cc1 |
InChIKey | WYDALEWSLMNXDW-WQRHYEAKSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight (Da) | 470.1 |
Drug properties
Molecular type | Small molecule |
Physiological/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 |
GPR55 | GPR55 | Human | GPR18, GPR55 and GPR119 | A | pIC50 | 4.7 | 4.7 | 4.7 | ChEMBL |
GPR35 | GPR35 | Human | A orphans | A | pIC50 | 5.39 | 5.82 | 6.25 | ChEMBL |