CHEMBL1790713


SMILES CC[C@@H](C)[C@H]1NC(=O)[C@@](C)(c2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)N[C@H](C(N)=O)c2ccc(O)cc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H]([C@@H](C)O)NC1=O
InChIKey BBABDJYQAOTGDM-ICAZMPRUSA-N

Chemical properties

Hydrogen bond acceptors 21
Hydrogen bond donors 15
Rotatable bonds 18
Molecular weight (Da) 1483.5

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OT OXYR Human Vasopressin and oxytocin A pKi 8.21 8.21 8.21 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 6.66 6.66 6.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database