CHEMBL2172290
SMILES | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 |
InChIKey | HCEMXUHTAYODLO-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 17 |
Hydrogen bond donors | 5 |
Rotatable bonds | 33 |
Molecular weight (Da) | 1440.6 |
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 |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 8.04 | 8.38 | 8.71 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKd | 8.63 | 8.63 | 8.63 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 5.76 | 5.76 | 5.76 | ChEMBL |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 6.09 | 6.09 | 6.09 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |