CHEMBL331897
SMILES | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 |
InChIKey | VQHKDCUXFKNNMT-ODCIPOBUSA-O |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 527.2 |
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 |
CCR3 | CCR3 | Mouse | Chemokine | A | pIC50 | 6.34 | 6.4 | 6.46 | ChEMBL |
CCR1 | CCR1 | Mouse | Chemokine | A | pIC50 | 6.13 | 7.64 | 8.24 | ChEMBL |
CCR3 | CCR3 | Human | Chemokine | A | pIC50 | 8.21 | 8.98 | 9.24 | ChEMBL |
CCR1 | CCR1 | Human | Chemokine | A | pIC50 | 7.33 | 8.81 | 9.14 | ChEMBL |