CHEMBL3354579


SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CCCO)CC(=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)NC1=O
InChIKey SMVMGIUZDRKYJP-FRGVEXLJSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 12
Rotatable bonds 21
Molecular weight (Da) 991.5

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OT OXYR Human Vasopressin and oxytocin A pKi 8.85 8.85 8.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1B V1BR Human Vasopressin and oxytocin A pEC50 8.11 8.11 8.11 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pEC50 6.3 6.3 6.3 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pEC50 9.57 10.29 11.0 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pIC50 5.85 5.85 5.85 ChEMBL