CHEMBL4550325
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O |
| InChIKey | HZMZHJITSBANPP-PTQLHCGHSA-N |
Chemical properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 14 |
| Rotatable bonds | 28 |
| Molecular weight (Da) | 897.6 |
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 |
| C5a2 | C5AR2 | Human | Complement peptide | A | pKi | 4.32 | 4.32 | 4.32 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| C5a2 | C5AR2 | Human | Complement peptide | A | pEC50 | 5.12 | 5.12 | 5.12 | ChEMBL |