CHEMBL540192


SMILES CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(C(=O)N(C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccc(O)cc3)N(C)C(=O)CCc3ccc(O)cc3)[C@@H](CCCCN)C(N)=O)ccc21
InChIKey WUMOOBOQCBFZCV-FECLWYEOSA-N

Chemical properties

Hydrogen bond acceptors 20
Hydrogen bond donors 12
Rotatable bonds 36
Molecular weight (Da) 1524.7

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
V1B V1BR Human Vasopressin and oxytocin A pKi 7.57 7.57 7.57 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 8.92 8.92 8.92 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 5.12 5.12 5.12 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 10.15 10.15 10.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database