GPCRdb

RITONAVIR

Agent/drug
Bioactivity

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

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

κ	OPRK	Human	Opioid	A	pKi	5.26	5.26	5.26	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	8.28	8.28	8.28	Drug Central
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	6.06	6.06	6.06	ChEMBL
NK₂	NK2R	Human	Tachykinin	A	pKi	8.22	8.22	8.22	Drug Central
V_1A	V1AR	Human	Vasopressin and oxytocin	A	pKi	5.30	5.30	5.30	ChEMBL
V_1A	V1AR	Human	Vasopressin and oxytocin	A	pKi	8.28	8.28	8.28	Drug Central

Showing 1 to 8 of 8 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

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
NK₂	NK2R	Human	Tachykinin	A	pIC50	5.58	5.58	5.58	ChEMBL
NPS	NPSR1	Human	Neuropeptide S	A	Potency	4.90	4.90	4.90	ChEMBL
V_1A	V1AR	Human	Vasopressin and oxytocin	A	pIC50	4.91	4.91	4.91	ChEMBL

Showing 1 to 5 of 5 entries

RITONAVIR

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Clinical Trials

Phase I 0

Phase II 0

Phase III 0

Approved No

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.