CHEMBL3735507
SMILES | CC[C@H](C)[C@H](NC(=O)c1cncc(Br)c1)c1nc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)co1 |
InChIKey | IORMEDGSRKTVIP-PJODQICGSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 6 |
Rotatable bonds | 12 |
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 |
C3a | C3AR | Human | Complement peptide | A | pEC50 | 7.76 | 7.76 | 7.77 | ChEMBL |
C3a | C3AR | Human | Complement peptide | A | pIC50 | 8.3 | 8.3 | 8.3 | ChEMBL |