CHEMBL438387


SMILES CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1
InChIKey XDGHQNNQRUGCLN-JPRYDEJLSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 12
Rotatable bonds 22
Molecular weight (Da) 1138.5

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
V2 V2R Bovine Vasopressin and oxytocin A pKd 7.54 7.54 7.54 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKd 7.68 7.68 7.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database