CHEMBL1643599
SMILES | CCCCNCc1ccc(-c2cccc(C(C)N(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)n2)cc1 |
InChIKey | SIPOPCCIDZIEBA-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 12 |
Molecular weight (Da) | 521.3 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
V1B | V1BR | Human | Vasopressin and oxytocin | A | pKi | 5.9 | 5.9 | 5.9 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |