CHEMBL375096
SMILES | NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O |
InChIKey | HBVZQPKQFUSYKR-POFDKVPJSA-N |
Chemical properties
Hydrogen bond acceptors | 15 |
Hydrogen bond donors | 13 |
Rotatable bonds | 19 |
Molecular weight (Da) | 1054.4 |
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 | Rat | Vasopressin and oxytocin | A | pKi | 9.35 | 9.35 | 9.35 | ChEMBL |
V1A | V1AR | Rat | Vasopressin and oxytocin | A | pKi | 6.05 | 6.05 | 6.05 | ChEMBL |
V2 | V2R | Rat | Vasopressin and oxytocin | A | pKi | 8.47 | 8.47 | 8.47 | ChEMBL |
OT | OXYR | Rat | Vasopressin and oxytocin | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
V1B | V1BR | Human | Vasopressin and oxytocin | A | pKi | 9.31 | 9.31 | 9.31 | ChEMBL |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 6.49 | 6.49 | 6.49 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 5.95 | 5.95 | 5.95 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 7.06 | 7.06 | 7.06 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |