CHEMBL594828
SMILES | COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 |
InChIKey | HNIFCPBQMKPRCX-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 0 |
Rotatable bonds | 7 |
Molecular weight (Da) | 419.1 |
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 |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 8.02 | 8.02 | 8.02 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 5.95 | 5.95 | 5.95 | ChEMBL |
ghrelin | GHSR | Human | Ghrelin | A | pKi | 5.36 | 5.36 | 5.36 | ChEMBL |
NK1 | NK1R | Human | Tachykinin | A | pKi | 5.19 | 5.19 | 5.19 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 5.52 | 5.52 | 5.52 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
OT | OXYR | Human | Vasopressin and oxytocin | A | pIC50 | 6.22 | 7.02 | 7.63 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pIC50 | 5.58 | 5.7 | 5.82 | ChEMBL |