CHEMBL4094454
SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O |
InChIKey | MKIGJWTYIAFGIM-VCPQFANWSA-N |
Chemical properties
Hydrogen bond acceptors | 15 |
Hydrogen bond donors | 14 |
Rotatable bonds | 19 |
Molecular weight (Da) | 1034.4 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
OT | OXYR | Human | Vasopressin and oxytocin | A | pEC50 | 10.52 | 10.52 | 10.52 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pEC50 | 9.92 | 10.2 | 10.47 | ChEMBL |