Drug Information

General Information
Drug ID
DR00413
Drug Name
Atazanavir
Synonyms
(2S)-N-(3-{[(2S)-2-(Methoxycarbonylamino)-3,3-dimethylbutanoylamino][(4-(2-pyridyl)phenyl)methyl]amino}(1S,2S)-2-hydroxy-1-benzylpropyl)-2-(methoxycarbonylamino)-3,3-dimethylbutanamide; (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER; ATV; ATZ; Atazanavir (INN); Atazanavir [INN:BAN];BMS-232632; Atazanavirum; BMS 232632; CGP 73547; CGP-73547; DR7; Dimethyl (3S,8S,9S,12S)-9-benzyl-3,12-di-tert-butyl-8-hydroxy-4,11-dioxo-6-[4-(2-pyridyl)benzyl]-2,5,6,10,13-pentaazatetradecanedioate; Latazanavir; METHYL [(1S,4S,5S,10S)-4-BENZYL-1,10-DI-TERT-BUTYL-5-HYDROXY-2,9,12-TRIOXO-7-(4-PYRIDIN-2-YLBENZYL)-13-OXA-3,7,8,11-TETRAAZATETRADEC-1-YL]CARBAMATE; Methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate; Reyataz; Reyataz (TN); Reyataz(TM) (*1:1 sulfate*); Reyataz, BMS-232632, Atazanavir; Zrivada
Drug Type
Small molecular drug
Therapeutic Class
Anti-HIV Agents
Structure
3D MOL 2D MOL
Formula
C38H52N6O7
Canonical SMILES
CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OC
InChI
InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1
InChIKey
AXRYRYVKAWYZBR-GASGPIRDSA-N
CAS Number
CAS 198904-31-3
Pharmaceutical Properties Molecular Weight 704.9 Topological Polar Surface Area 171
Heavy Atom Count 51 Rotatable Bond Count 18
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 9
XLogP
5.6
PubChem CID
148192
PubChem SID
10249838 ,103338831 ,104418454 ,124757264 ,124894049 ,125164068 ,125267482 ,126649083 ,126665840 ,126731250 ,127338999 ,127339000 ,127474087 ,134337995 ,134339780 ,135105507 ,135692446 ,137004575 ,142410398 ,143496681 ,144206632 ,14715932 ,14766361 ,14790731 ,15047322 ,152234924 ,152344127 ,160647610 ,17436380 ,24276961 ,46225140 ,46393831 ,46508504 ,46512956 ,49831615 ,50067727 ,50070909 ,50780515 ,51091799 ,53801241 ,57346722 ,621982 ,85177037 ,85177040 ,85177051 ,85177056 ,87225781 ,92308998 ,92729699 ,99437162
ChEBI ID
ChEBI:37924
TTD Drug ID
D07IQS

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