CHEMBL3416750
SMILES | CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3cc(S(=O)(=O)[O-])ccc3C2(C)C)C(C)(CCCC(=O)NCCNC(=O)CCc2ccc(S(=O)(=O)N(CC(=O)N/N=C3\C(=O)Nc4ccccc43)c3ccc(Cl)cc3)cc2)c2cc(S(=O)(=O)O)ccc21 |
InChIKey | RUGNSUYHOPZRDG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 13 |
Hydrogen bond donors | 5 |
Rotatable bonds | 23 |
Molecular weight (Da) | 1206.3 |
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 | Human | Vasopressin and oxytocin | A | pKd | 8.86 | 8.86 | 8.86 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKd | 7.52 | 7.52 | 7.52 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKd | 7.71 | 7.71 | 7.71 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |