CHEMBL21199
SMILES | O=C(CSc1nc2ccccc2s1)NCC1CCCN(Cc2ccccc2)C1 |
InChIKey | HMSUMXAXIIHIJY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 411.1 |
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 |
CCR3 | CCR3 | Human | Chemokine | A | pIC50 | 6.0 | 6.0 | 6.0 | ChEMBL |
CCR1 | CCR1 | Human | Chemokine | A | pIC50 | 5.38 | 5.38 | 5.38 | ChEMBL |