CHEMBL3416749
SMILES | O=C(CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)NCCNC(=O)CCc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 |
InChIKey | YCALTQJLVUQEBX-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 12 |
Hydrogen bond donors | 7 |
Rotatable bonds | 21 |
Molecular weight (Da) | 1053.3 |
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 | pKd | 8.76 | 8.76 | 8.76 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKd | 6.87 | 6.87 | 6.87 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKd | 7.21 | 7.21 | 7.21 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |