compound 48/80
SMILES | CNCCc1cc(Cc2cc(CCNC)ccc2OC)c(c(c1)Cc1cc(CCNC)ccc1OC)OC |
InChIKey | DXEVTBAWIGXNAW-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 16 |
Molecular weight (Da) | 519.3 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
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 | pIC50 | 7.04 | 7.04 | 7.04 | ChEMBL |