Drug Information

General Information
Drug ID
DR00332
Drug Name
Ritonavir
Synonyms
1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate; 5-Thiazolylmethyl ((alphaS)-alpha-((1S,3S)-1-hydroxy-3-((2S)-2-(3-((2-isopropyl-4-thiazolyl)methyl)-3-methylureido)-3-methylbutyramido)-4-phenylbutyl)phenethyl)carbamate; 5-Thiazolylmethyl ((alphaS)-alpha-((1S,3S-1-hydroxy-3-((2S)-2-(3-((2-isopropyl-4-thiazolyl)methyl)-3-methylureido)-3-methylbutyramido)-4-phenylbutyl)phenethyl)carbamate; 538, ABT; A-84538; ABBOTT-84538; ABT 538; ABT 84538; ABT-538; ABT538; Abbott 84538; DRG-0244; N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide; Norvir; Norvir (TM); Norvir (TN); Norvir Sec; RIT; RTV; Ritonavir (JAN/USAN/INN); Ritonavir [USAN]
Drug Type
Small molecular drug
Indication Human immunodeficiency virus infection [ICD11:1C62.Z] Approved [1]
Therapeutic Class
Anti-HIV Agents
Structure
3D MOL 2D MOL
Formula
C37H48N6O5S2
Canonical SMILES
CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O
InChI
InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1
InChIKey
NCDNCNXCDXHOMX-XGKFQTDJSA-N
CAS Number
CAS 155213-67-5
Pharmaceutical Properties Molecular Weight 720.9 Topological Polar Surface Area 202
Heavy Atom Count 50 Rotatable Bond Count 18
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 9
XLogP
6
PubChem CID
392622
PubChem SID
10279496 ,103244854 ,104178993 ,104616751 ,104829353 ,11528746 ,117877983 ,118048821 ,12014859 ,124658994 ,124757062 ,124801360 ,124876828 ,124892213 ,124894323 ,125163866 ,125333191 ,126592976 ,126630875 ,14766505 ,14790837 ,17422094 ,26719904 ,29215414 ,46386817 ,46392172 ,46393138 ,46505050 ,49681649 ,523930 ,53789763 ,57402349 ,583815 ,612199 ,71825024 ,7847493 ,7890279 ,79712259 ,7980525 ,8030461 ,81092847 ,822215 ,827183 ,855141 ,92308258 ,92711419 ,93166545 ,93167041 ,9449 ,99436927
ChEBI ID
CHEBI:45409
TTD Drug ID
D0ZU9R
DT(s) Transporting This Drug MRP2 Transporter Info Multidrug resistance-associated protein 2 Substrate [2]
OATP2B1 Transporter Info Organic anion transporting polypeptide 2B1 Substrate [3]
P-GP Transporter Info P-glycoprotein 1 Substrate [4]
Drug-Transporter Activity Data
Drug-Transporter Activity Data P-GP Transporter Info Km =0.8 microM LLC-PK1 cells-MDR1 [4]
References
1 Ritonavir was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019)
2 Interaction of eight HIV protease inhibitors with the canalicular efflux transporter ABCC2 (MRP2) in sandwich-cultured rat and human hepatocytes. Biopharm Drug Dispos. 2010 Mar;31(2-3):178-88.
3 pH dependence of organic anion-transporting polypeptide 2B1 in Caco-2 cells: potential role in antiretroviral drug oral bioavailability and drug-drug interactions. J Pharmacol Exp Ther. 2010 Sep 1;334(3):1009-22.
4 MDR1 G1199A polymorphism alters permeability of HIV protease inhibitors across P-glycoprotein-expressing epithelial cells. AIDS. 2005 Oct 14;19(15):1617-25.

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