ZK110841
SMILES | OC(=O)CCC/C=C\CC1[C@H](Cl)C[C@H]([C@@H]1/C=C/[C@H](C1CCCCC1)O)O |
InChIKey | ZOQXTNLUBHPZOZ-GZFHOOQWSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 3 |
Rotatable bonds | 9 |
Molecular weight (Da) | 384.2 |
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 |
NK1 | NK1R | Human | Tachykinin | A | pKi | 9.8 | 10.75 | 11.7 | Guide to Pharmacology |
NK2 | NK2R | Human | Tachykinin | A | pKi | 6.3 | 6.3 | 6.3 | Guide to Pharmacology |
NK3 | NK3R | Human | Tachykinin | A | pKi | 8.6 | 8.85 | 9.1 | Guide to Pharmacology |
NK3 | NK3R | Mouse | Tachykinin | A | pKi | 9.2 | 9.25 | 9.3 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |