CHEMBL360648
SMILES | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 |
InChIKey | KSNHHKZYKYNBEI-NDEPHWFRSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 600.3 |
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 | pKi | 6.83 | 6.84 | 6.85 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 6.48 | 6.6 | 6.71 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
OT | OXYR | Human | Vasopressin and oxytocin | A | pEC50 | 7.48 | 7.5 | 7.55 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pEC50 | 6.07 | 6.07 | 6.07 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pIC50 | 8.1 | 8.1 | 8.1 | ChEMBL |