CHEMBL1793955
SMILES | CC[C@H](C)[C@@H]1NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O |
InChIKey | FLYYNGHZBWJEHS-DHTODDSISA-N |
Chemical properties
Hydrogen bond acceptors | 14 |
Hydrogen bond donors | 12 |
Rotatable bonds | 20 |
Molecular weight (Da) | 1060.5 |
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 |
V2 | V2R | Bovine | Vasopressin and oxytocin | A | pKd | 6.74 | 6.74 | 6.74 | ChEMBL |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKd | 6.58 | 6.58 | 6.58 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |