CHEMBL1765664


SMILES CC(C)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](CCCCNC(=O)c2ccccc2N)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O
InChIKey IIIHGTMRSVLZBO-NKUVHBIJSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 12
Rotatable bonds 20
Molecular weight (Da) 1145.5

Drug properties

Molecular type Small molecule
Endogenous/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 9.19 9.19 9.19 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 6.61 6.61 6.61 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 5.31 5.31 5.31 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 7.68 7.68 7.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1B V1BR Human Vasopressin and oxytocin A pEC50 8.61 8.69 8.77 ChEMBL