CHEMBL3968340
SMILES | COC(=O)[C@@H]1CCCN1C(=O)c1cccc(Nc2c(N[C@H](c3ccc(C)o3)[C@@H]3CCCS3)c(=O)c2=O)c1F |
InChIKey | OISJPBYRKOJZRI-HFSMHLIXSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 541.2 |
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 |
CXCR1 | CXCR1 | Human | Chemokine | A | pIC50 | 5.05 | 5.05 | 5.05 | ChEMBL |
CXCR2 | CXCR2 | Human | Chemokine | A | pIC50 | 6.01 | 6.01 | 6.01 | ChEMBL |