CHEMBL1765666


SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)CCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O
InChIKey JMZJCWNFJOHULV-ZTYVOHGWSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 12
Rotatable bonds 21
Molecular weight (Da) 1097.5

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
V1A V1AR Human Vasopressin and oxytocin A pKi 6.67 6.67 6.67 ChEMBL
V1B V1BR Human Vasopressin and oxytocin A pKi 8.89 8.89 8.89 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 5.28 5.28 5.28 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 7.9 7.9 7.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database