ancriviroc
SMILES | CCO/N=C(\c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-] |
InChIKey | ZGDKVKUWTCGYOA-URGPHPNLSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 6 |
Molecular weight (Da) | 556.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Ligand site mutations | CCR5 |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CCR5 | CCR5 | Human | Chemokine | A | pKi | 7.8 | 8.25 | 8.7 | Guide to Pharmacology |
CCR5 | CCR5 | Human | Chemokine | A | pKd | 8.9 | 8.9 | 8.9 | Guide to Pharmacology |
CCR5 | CCR5 | Human | Chemokine | A | pKi | 8.68 | 8.68 | 8.68 | ChEMBL |
CCR5 | CCR5 | Mouse | Chemokine | A | pKi | 8.68 | 8.68 | 8.68 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |