CHEMBL4592883
SMILES | N=C(N)NCCC[C@H](NC(=O)c1sc(C(c2ccccc2)c2ccccc2)cc1Br)C(=O)O |
InChIKey | IXSUZWFRISMMDR-SFHVURJKSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 5 |
Rotatable bonds | 10 |
Molecular weight (Da) | 528.1 |
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 |
C3a | C3AR | Human | Complement peptide | A | pIC50 | 6.29 | 6.29 | 6.3 | ChEMBL |
C3a | C3AR | Human | Complement peptide | A | pEC50 | 4.0 | 4.0 | 4.0 | ChEMBL |