CHEMBL4445758
SMILES | Cc1cc(C(c2cccc(Cl)c2)c2cccc(Cl)c2)sc1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O |
InChIKey | IYEVEBSAVHGBPY-IBGZPJMESA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 5 |
Rotatable bonds | 10 |
Molecular weight (Da) | 532.1 |
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 | pEC50 | 7.3 | 7.32 | 7.34 | ChEMBL |
C3a | C3AR | Human | Complement peptide | A | pIC50 | 8.5 | 8.51 | 8.52 | ChEMBL |