CHEMBL567198
SMILES | CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 |
InChIKey | OZJDKUMSRQSURZ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 0 |
Rotatable bonds | 8 |
Molecular weight (Da) | 537.2 |
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 |
NK3 | NK3R | Guinea pig | Tachykinin | A | pKd | 7.53 | 7.58 | 7.62 | ChEMBL |
NK3 | NK3R | Guinea pig | Tachykinin | A | pKi | 7.92 | 8.01 | 8.1 | ChEMBL |
NK3 | NK3R | Human | Tachykinin | A | pKi | 7.98 | 7.98 | 7.98 | ChEMBL |
NK3 | NK3R | Human | Tachykinin | A | pKd | 7.74 | 7.74 | 7.74 | ChEMBL |
NK2 | NK2R | Human | Tachykinin | A | pKi | 6.02 | 6.02 | 6.02 | ChEMBL |
NK1 | NK1R | Human | Tachykinin | A | pKi | 7.15 | 7.15 | 7.15 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |