CHEMBL467186
SMILES | COCc1nnc(-c2cnc(-c3cccc(C)c3C)cn2)n1-c1ccc(OC)nc1 |
InChIKey | PFIGDGJSZCKKLC-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 0 |
Rotatable bonds | 6 |
Molecular weight (Da) | 402.2 |
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 | 8.4 | 8.4 | 8.4 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 6.99 | 6.99 | 6.99 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 6.88 | 6.88 | 6.88 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |