CHEMBL3353936


SMILES CCOc1ccc(C[C@@H]2NC(=O)CCCSC[C@@H](C(=O)N3C[C@@H](OC)C[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1
InChIKey FHJTUNPAVOIOKG-VGTQXBBOSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 10
Rotatable bonds 20
Molecular weight (Da) 1031.5

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 9.68 9.68 9.68 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pEC50 6.35 6.35 6.35 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pIC50 7.26 7.26 7.26 ChEMBL