CHEMBL540192
SMILES | CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(C(=O)N(C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccc(O)cc3)N(C)C(=O)CCc3ccc(O)cc3)[C@@H](CCCCN)C(N)=O)ccc21 |
InChIKey | WUMOOBOQCBFZCV-FECLWYEOSA-N |
Chemical properties
Hydrogen bond acceptors | 20 |
Hydrogen bond donors | 12 |
Rotatable bonds | 36 |
Molecular weight (Da) | 1524.7 |
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 |
V1B | V1BR | Human | Vasopressin and oxytocin | A | pKi | 7.57 | 7.57 | 7.57 | ChEMBL |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 8.92 | 8.92 | 8.92 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 5.12 | 5.12 | 5.12 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 10.15 | 10.15 | 10.15 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |