ritonavir


SMILES O=C(N[C@H]([C@H](C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)N(Cc1csc(n1)C(C)C)C)O)Cc1ccccc1)OCc1cncs1
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 Yes

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
κ OPRK Human Opioid A pKi 8.28 8.28 8.28 Drug Central
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
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