Drug Information

Drug General Information
Drug ID
D0BP9C
Former ID
DAP001476
Drug Name
Etravirine
Synonyms
Intelence; DAPY deriv; Diaminopyrimidine deriv; R 165335; R165335; TMC 125; TMC125; Intelence (TN); Intelence(TM); R-165335; R165335-TMC125; TMC-125; Etravirine (JAN/USAN/INN); TMC-125/R-165335; 4-((6-amino-5-bromo-2-((4-cyanophenyl)amino)-4-pyrimidinyl)oxy)-3,5-dimethyl-benzonitrile; 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE; 4-[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile; 65B; ETR
Drug Type
Small molecular drug
Indication HIV-1 infection [ICD9: 001-139, 042; ICD10:B20-B24] Approved [529941], [536833]
Structure
Download
2D MOL

3D MOL
Formula
C20H15BrN6O
Canonical SMILES
CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)N)NC3=CC=C(C=C3)C#N)C)C#<br />N
InChI
1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
InChIKey
PYGWGZALEOIKDF-UHFFFAOYSA-N
CAS Number
CAS 269055-15-4
PubChem Compound ID
193962
PubChem Substance ID
642445, 832707, 7885445, 10261828, 12015430, 14856802, 33514683, 47206062, 50755335, 57397726, 58108352, 92765305, 92765307, 93375510, 93619697, 99443662, 103268452, 103999716, 113457302, 118844113, 125346599, 126617154, 126632876, 126665857, 131308179, 134224563, 134338670, 135171617, 135611140, 135693135, 136946574, 136980023, 137006543, 139263775, 143497676, 144115317, 152035774, 152234808, 152258935, 160647779, 160658773, 160968275, 162009794, 162011438, 162200353, 162849709, 163894003, 164831834, 170483270, 170503235
SuperDrug ATC ID
J05AG04
Drug Resistance Mutation (DRM)
DRM DRM Info
Target and Pathway
Target(s) HIV reverse transcriptase Target Info Modulator [529941]
References
Ref 5299412008 FDA drug approvals. Nat Rev Drug Discov. 2009 Feb;8(2):93-6.
Ref 536833Emerging antiviral drugs. Expert Opin Emerg Drugs. 2008 Sep;13(3):393-416.
Ref 5299412008 FDA drug approvals. Nat Rev Drug Discov. 2009 Feb;8(2):93-6.

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