CHEMBL4126100


SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O
InChIKey XYHRDUDUOHRZSR-SXXMFYQFSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 14
Rotatable bonds 19
Molecular weight (Da) 1138.5

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 6.78 6.78 6.78 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
V1B V1BR Human Vasopressin and oxytocin A pEC50 5.03 5.03 5.03 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pEC50 4.72 4.72 4.72 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pIC50 5.76 5.76 5.76 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pIC50 7.85 7.85 7.85 ChEMBL