CHEMBL5575063


SMILES CCOc1ccc(C[C@@H](NC(=O)Cc2ccc(C(C)(C)C)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1
InChIKey SNHJAZWMZSZXFM-XJKSQIOZSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 15
Rotatable bonds 35
Molecular weight (Da) 1254.7

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
V2 V2R Human Vasopressin and oxytocin A pKi 8.21 8.21 8.21 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 6.71 6.71 6.71 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V2 V2R Human Vasopressin and oxytocin A pIC50 7.7 7.7 7.7 ChEMBL