CHEMBL4564411
SMILES | COCc1nnc(N2C[C@@H]3C[C@]3(c3cccc(F)c3Cl)C2)n1-c1ccc(OC)nc1 |
InChIKey | IVBNDCRHXGVWPI-ZSEKCTLFSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 0 |
Rotatable bonds | 6 |
Molecular weight (Da) | 429.1 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
V1B | V1BR | Human | Vasopressin and oxytocin | A | pIC50 | 4.23 | 4.23 | 4.23 | ChEMBL |
OT | OXYR | Human | Vasopressin and oxytocin | A | pIC50 | 7.52 | 7.52 | 7.52 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pIC50 | 4.59 | 4.59 | 4.59 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pIC50 | 5.42 | 5.42 | 5.42 | ChEMBL |