CHEMBL1789152


SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc(-c3c4ccc(=N)c(S(=O)(=O)O)c-4oc4c(S(=O)(=O)O)c(N)ccc34)c(C(=O)O)c2)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O
InChIKey VPQVMDXMDKWGHK-DJSJHPDCSA-N

Chemical properties

Hydrogen bond acceptors 23
Hydrogen bond donors 17
Rotatable bonds 24
Molecular weight (Da) 1558.4

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 6.83 6.83 6.83 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 6.02 6.02 6.02 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 4.26 4.26 4.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database