CHEMBL2115415
SMILES | COc1cc(C(=O)N2CCO[C@](CCN3CCC4(CC3)c3ccccc3C[S@+]4[O-])(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC |
InChIKey | RWSBBXFLRGQFQP-RKCQUONGSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 0 |
Rotatable bonds | 8 |
Molecular weight (Da) | 672.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
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 | Guinea pig | Tachykinin | A | pIC50 | 9.14 | 9.14 | 9.14 | ChEMBL |
NK2 | NK2R | Guinea pig | Tachykinin | A | pIC50 | 8.51 | 8.51 | 8.51 | ChEMBL |
NK1 | NK1R | Guinea pig | Tachykinin | A | pIC50 | 7.68 | 7.68 | 7.68 | ChEMBL |