XYT528B
SMILES | C[C@]12C(CC[C@]3(C)[C@@H]1CC[C@H]1[C@@]3(C)CC[C@]3(C(=O)O)[C@@H]1[C@H](C(C)C)CC3)C(C)(C)[C@H](OC(=O)CCC)CC2 |
InChIKey | XQYINMZHVRUGDM-LSPHDCIISA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 528.4 |
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 |
CCK2 | GASR | Mouse | Cholecystokinin | A | pKi | 6.6 | 6.6 | 6.6 | ChEMBL |
CCK1 | CCKAR | Guinea pig | Cholecystokinin | A | pKi | 5.1 | 5.1 | 5.1 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |