CHEMBL4439313
SMILES | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CSC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCCc2cccs2)NC(=O)[C@H](CC(N)=O)NC1=O |
InChIKey | AQCUQKJQKKRGGY-GUPRDMPJSA-N |
Chemical properties
Hydrogen bond acceptors | 13 |
Hydrogen bond donors | 11 |
Rotatable bonds | 18 |
Molecular weight (Da) | 1128.4 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
V2 | V2R | Human | Vasopressin and oxytocin | A | pEC50 | 9.52 | 9.52 | 9.52 | ChEMBL |
V1B | V1BR | Human | Vasopressin and oxytocin | A | pEC50 | 7.0 | 7.0 | 7.0 | ChEMBL |