LACCACID ACID A
SMILES | CC(=O)NCCc1ccc(O)c(-c2c(O)c(O)c3c(c2O)C(=O)c2c(cc(O)c(C(=O)O)c2C(=O)O)C3=O)c1 |
InChIKey | IHLWXZNPOVMUFQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 8 |
Rotatable bonds | 6 |
Molecular weight (Da) | 537.1 |
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 |
GPR35 | GPR35 | Human | A orphans | A | pEC50 | 4.29 | 5.35 | 6.41 | ChEMBL |
GPR35 | GPR35 | Human | A orphans | A | pIC50 | 6.41 | 6.41 | 6.41 | ChEMBL |