CHEMBL4289837


SMILES COc1ccc(C[C@@H](NC(=O)CCc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2C[Se]C[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)cc1
InChIKey PRHUMKTXQVOLBS-MFVUMRCOSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 16
Rotatable bonds 34
Molecular weight (Da) 1206.5

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
V1A V1AR Human Vasopressin and oxytocin A pKi 8.42 8.96 9.4 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKd 9.35 9.35 9.35 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database