CHEMBL26790
SMILES | O=C1CCC(CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 |
InChIKey | ADXFJIYJEFFOSY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 590.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/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 |
NK3 | NK3R | Human | Tachykinin | A | pIC50 | 6.27 | 6.27 | 6.27 | ChEMBL |
NK2 | NK2R | Human | Tachykinin | A | pIC50 | 8.19 | 8.19 | 8.19 | ChEMBL |
CCR5 | CCR5 | Human | Chemokine | A | pIC50 | 4.7 | 4.7 | 4.7 | ChEMBL |
NK1 | NK1R | Human | Tachykinin | A | pIC50 | 6.13 | 6.13 | 6.13 | ChEMBL |