CHEMBL3353936
SMILES | CCOc1ccc(C[C@@H]2NC(=O)CCCSC[C@@H](C(=O)N3C[C@@H](OC)C[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1 |
InChIKey | FHJTUNPAVOIOKG-VGTQXBBOSA-N |
Chemical properties
Hydrogen bond acceptors | 14 |
Hydrogen bond donors | 10 |
Rotatable bonds | 20 |
Molecular weight (Da) | 1031.5 |
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 |
OT | OXYR | Human | Vasopressin and oxytocin | A | pEC50 | 9.68 | 9.68 | 9.68 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pEC50 | 6.35 | 6.35 | 6.35 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pIC50 | 7.26 | 7.26 | 7.26 | ChEMBL |