CHEMBL1790711
SMILES | CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H]([C@H](C)O)NC1=O |
InChIKey | JFIITURTLJMTOM-YYNDKXLMSA-N |
Chemical properties
Hydrogen bond acceptors | 20 |
Hydrogen bond donors | 14 |
Rotatable bonds | 16 |
Molecular weight (Da) | 1281.4 |
Drug properties
Molecular type | Small molecule |
Physiological/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 | 6.55 | 6.55 | 6.55 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 7.52 | 7.52 | 7.52 | ChEMBL |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 9.4 | 9.4 | 9.4 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |