CHEMBL1790575


SMILES CC[C@H](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](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O
InChIKey GBVPUVKWBFAQHN-CKJHWSPZSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 12
Rotatable bonds 18
Molecular weight (Da) 1053.5

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 9.38 9.38 9.38 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 6.99 6.99 6.99 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 8.0 8.0 8.0 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 7.78 7.78 7.78 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database