CHEMBL1765671


SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O
InChIKey PTZRRMMUCKNVAP-CNPIYYERSA-N

Chemical properties

Hydrogen bond acceptors 16
Hydrogen bond donors 13
Rotatable bonds 29
Molecular weight (Da) 1225.6

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
V1B V1BR Human Vasopressin and oxytocin A pKi 8.08 8.08 8.08 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 5.43 5.43 5.43 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 4.35 4.35 4.35 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 5.55 5.55 5.55 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database