CHEMBL2172288
SMILES | O=C(CCC(=O)NC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc21)NCc1cn(CCOCCOCCOCCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)nn1 |
InChIKey | BHGIBKQRMXLQED-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 15 |
Hydrogen bond donors | 7 |
Rotatable bonds | 25 |
Molecular weight (Da) | 1205.4 |
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 |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 6.18 | 6.18 | 6.18 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKd | 7.96 | 7.96 | 7.96 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 7.58 | 7.58 | 7.58 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |