CHEMBL220199
SMILES | Cc1ccc(CN2CCC(CNC(=O)C3CCN(c4ccc(-c5cccs5)nn4)CC3)C2)cc1 |
InChIKey | JTDVOOWYOMRNCY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 475.2 |
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 |
CCR5 | CCR5 | Human | Chemokine | A | pEC50 | 5.96 | 5.96 | 5.96 | ChEMBL |
CCR5 | CCR5 | Human | Chemokine | A | pIC50 | 5.24 | 5.24 | 5.24 | ChEMBL |