CHEMBL208787
SMILES | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc2occc2c1 |
InChIKey | DIHNBIJLWDSARE-ZRJLEYOISA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight (Da) | 501.3 |
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 |
OT | OXYR | Rat | Vasopressin and oxytocin | A | pKi | 7.2 | 7.2 | 7.2 | ChEMBL |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 8.4 | 8.7 | 9.0 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 5.3 | 5.3 | 5.3 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |