CHEMBL4462743


SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O
InChIKey TXAGRBCBFPPBPX-HTRMGZLOSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 11
Rotatable bonds 15
Molecular weight (Da) 975.4

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1B V1BR Human Vasopressin and oxytocin A pEC50 6.85 6.85 6.85 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pEC50 10.0 10.0 10.0 ChEMBL