CHEMBL538934
SMILES | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O |
InChIKey | HGNJZHKQNIASIY-MIKGUVKESA-N |
Chemical properties
Hydrogen bond acceptors | 14 |
Hydrogen bond donors | 13 |
Rotatable bonds | 20 |
Molecular weight (Da) | 1128.5 |
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 |
V1A | V1AR | Rat | Vasopressin and oxytocin | A | pKd | 6.2 | 6.2 | 6.2 | ChEMBL |
OT | OXYR | Rat | Vasopressin and oxytocin | A | pKd | 7.2 | 7.5 | 7.8 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |