RITONAVIR


SMILES CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1
InChIKey NCDNCNXCDXHOMX-XGKFQTDJSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 17
Molecular weight (Da) 720.3

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
NK2 NK2R Human Tachykinin A pKi 6.06 6.06 6.06 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 5.3 5.3 5.3 ChEMBL
κ OPRK Human Opioid A pKi 5.26 5.26 5.26 ChEMBL
μ OPRM Human Opioid A pKi 4.58 4.58 4.58 ChEMBL
μ OPRM Human Opioid A pKi 8.34 8.34 8.34 Drug Central
NK2 NK2R Human Tachykinin A pKi 8.22 8.22 8.22 Drug Central
V1A V1AR Human Vasopressin and oxytocin A pKi 8.28 8.28 8.28 Drug Central
κ OPRK Human Opioid A pKi 8.28 8.28 8.28 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK2 NK2R Human Tachykinin A pIC50 5.58 5.58 5.58 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pIC50 4.91 4.91 4.91 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 4.9 4.9 4.9 ChEMBL
κ OPRK Human Opioid A pIC50 4.87 4.87 4.87 ChEMBL
μ OPRM Human Opioid A pIC50 4.18 4.18 4.18 ChEMBL