CHEMBL1790721


SMILES CC[C@@H](C)[C@H]1NC(=O)[C@H](c2ccc(O)cc2)NC(=O)CCSSC[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)NCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O
InChIKey JOVDCZXVGAWIKQ-TUIVOMIJSA-N

Chemical properties

Hydrogen bond acceptors 20
Hydrogen bond donors 14
Rotatable bonds 18
Molecular weight (Da) 1308.5

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
V1B V1BR Human Vasopressin and oxytocin A pKi 6.41 6.41 6.41 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 9.6 9.6 9.6 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 6.97 6.97 6.97 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database