Drug Information

General Information
Drug ID
DR00299
Drug Name
Indinavir
Synonyms
(1(1S,2R),5(S))-2,3,5-Trideoxy-N-(2,3-dihydro-2-hydroxy-1H-inden-1-yl)-5-(2-(((1,1-dimethylethyl)amino)carbonyl)-4-(3-pyridinylmethyl)-1-piperazinyl)-2-(phenylmethyl)-D-erythro-Pentonamide; (2S)-1-[(2S,4S)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide; Crixivan; Crixivan (TM); Crixivan (TN); IDV; Indinavir (*1:1 Sulfate salt*); Indinavir [USAN]; Indinavir, Sulfate (1:1); L 735524; L-735 524; L-735,524; L-735524; MK-639; N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE; Propolis & 4-Hydroxy-N-(2-hydroxy-2,3-dihydro-1H-1-indanyl)-N'-(1,1-dimethylethyl)-2-phenylmethyl-5-[4-(3-pyridylmethyl)-1-piperzinyl]hexanediamide; Propolis+Indinavir; RS-253
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
C36H47N5O4
Canonical SMILES
CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=CC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)CC5=CN=CC=C5
InChI
InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1
InChIKey
CBVCZFGXHXORBI-PXQQMZJSSA-N
CAS Number
CAS 150378-17-9
Pharmaceutical Properties Molecular Weight 613.8 Topological Polar Surface Area 118
Heavy Atom Count 45 Rotatable Bond Count 12
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 7
XLogP
2.8
PubChem CID
5362440
PubChem SID
10317595 ,10317604 ,10317607 ,103179607 ,104322011 ,104829412 ,124892212 ,126628679 ,127336447 ,127336448 ,127336449 ,127336450 ,127602164 ,14765204 ,14862973 ,17422095 ,26697187 ,29211926 ,46391630 ,46392153 ,46392154 ,46392339 ,46393133 ,46393134 ,46393135 ,46393136 ,46393839 ,46393841 ,46393842 ,46393914 ,46506442 ,50064484 ,583813 ,601472 ,7846196 ,7888933 ,7979603 ,8030462 ,8187130 ,822078 ,824057 ,830610 ,832455 ,832456 ,832457 ,834483 ,9263 ,92717923 ,93166536 ,93167159
ChEBI ID
ChEBI:44032
TTD Drug ID
D0V7CF
DT(s) Transporting This Drug MRP1 Transporter Info Multidrug resistance-associated protein 1 Substrate [2]
MRP2 Transporter Info Multidrug resistance-associated protein 2 Substrate [3]
P-GP Transporter Info P-glycoprotein 1 Substrate [4]
Drug-Transporter Activity Data
Drug-Transporter Activity Data P-GP Transporter Info Km =0.47 microM High five cells-MDR1 [4]
References
1 Indinavir was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019)
2 Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions. Pharm Res. 2013 Apr;30(4):996-1007.
3 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.
4 HIV-1 protease inhibitors are substrates for the MDR1 multidrug transporter. Biochemistry. 1998 Mar 17;37(11):3594-601.

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