CHEMBL1790711


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]([C@H](C)O)NC1=O
InChIKey JFIITURTLJMTOM-YYNDKXLMSA-N

Chemical properties

Hydrogen bond acceptors 20
Hydrogen bond donors 14
Rotatable bonds 16
Molecular weight (Da) 1281.4

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
V1B V1BR Human Vasopressin and oxytocin A pKi 6.55 6.55 6.55 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 9.4 9.4 9.4 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 7.52 7.52 7.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database