CHEMBL2172289
SMILES | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 |
InChIKey | JLDUHYJPNRGFMT-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 14 |
Hydrogen bond donors | 5 |
Rotatable bonds | 24 |
Molecular weight (Da) | 1308.5 |
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 | 6.74 | 6.74 | 6.74 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKd | 8.86 | 8.86 | 8.86 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 8.24 | 8.24 | 8.24 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 6.21 | 6.21 | 6.21 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |