UCSF

ZINC03929022

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2005 35 No

Popular Name: Tenofovir disoproxil fumarate Tenofovir disoproxil fumarate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 201341-05-1 , 202138-50-9 , 6809-52-5 , [201341-05-1] , [202138-50-9] , [6809-52-5]

Other Names:

(R)-(((((1-(6-Amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphoryl)bis(oxy))bis(methylene) diisopropyl dicarbonate

(R)-(((((1-(6-Amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphoryl)bis(oxy))bis(methylene)diisopropyldicarbonate

(R)-5-((2-(6-Amino-9H-purin-9-yl)-1-methylethoxy)methyl)-2,4,6,8-tetraoxa-5-phosphanonanedioic acid, bis(1-methylethyl) ester, 5-oxide, (E)-2-butenedioate (1:1); 9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)phosphinyl)methoxy)propyl)adenine fumarate (1

vir

vir-

2,4,6,8-Tetraoxa-5-phosphanonanedioic acid, 5-[[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-, 1,9-bis(1-methylethyl) ester, 5-oxide, (2E)-2-butenedioate (1:1)

201341-05-1

202138-50-9; D01982; Tenofovir disoproxil fumarate (JAN/USAN); Viread (TN)

6,10,14,18-Tetramethyl-5,9,13,17-nonadecatetraen-2-one

9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)phosphinyl)methoxy)propyl)adenine

9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)phosphinyl)methoxy)propyl)adenine fumarate

9-((R)-2-((bis(((isopropoxycarbonyl)oxy)methoxy)phosphinyl)methoxy)propyl)adenine fumarate; TDF; tenofovir DF

9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)phosphinyl)methoxy)propyl)adenine; Bis(POC)PMPA; LS-187012; PMPA prodrug; Tenofovir disoproxil

9-((R)-2-((bis(((isopropoxycarbonyl)oxy)methoxy)phosphinyl)methoxy)propyl)adenine; PMPA prodrug; bis(POC)PMPA; tenofovir bis(isopropyloxycarbonyloxymethyl) ester

9-[(R)-2-[[Bis[[(isopropoxycarbonyl)oxy] methoxy]phosphinyl]methoxy]propyl]adenine

AC1NUKHG

ATRIPLA; EFAVIRENZ; EMTRICITABINE; LS-187937; TENOFOVIR DISOPROXIL FUMARATE

Bis(isopropyloxymethylcarbonyl) 9-(2-phosphonomethoxypropyl)adenine

Bis(isopropyloxymethylcarbonyl)PMPA

Bis(POC)PMPA

CHEMBL1538

CID5481350

DAP001430

EMTRICITABINE; LS-187938; TENOFOVIR DISOPROXIL FUMARATE; TRUVADA

FDA)

GS 4331-05 (*1:1 Fumarate salt*)

GS-1278

GS-1278; GS-4331-05; PMPA Prodrug

GS-4331-05

GS-US-104-0321

GSK-548470

INN)

INN); Tenofovir disoproxil fumarate (FDA

INN); Tenofovir Disoproxil Fumarate (USAN

LS-187012

LS-187786

MFCD00952920

MFCD08141829

NA

PMPA prodrug

QA-8716

ST51052782

TDF

Tenofovir (BAN

Tenofovir DF

tenofovir disoproxil

Tenofovir Disoproxil Fumarate

Tenofovir Disoproxil Fumarate (FDA

Tenofovirdisoproxil

Tenofovirdisoproxilfumarate

Teprenone

USAN)

USAN); Tenofovir (BAN

Viread

Viread(TM) (*1:1 Fumarate salt*)

[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.05 9.77 -22.6 2 15 0 185 519.448 17 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Indications antiretroviral KeyOrganics Bioactives
Target Reverse Transcriptase Selleck Chemicals
PUBCHEM_PATENT_ID WO1999005150A1 IBM Patent Data
UniProt Database Links ZFY_HUMAN ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50606-1-O Hepatitis B Virus (cluster #1 Of 3), Other Other 5100 0.21 Functional ≤ 10μM
Z50607-1-O Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other Other 7 0.33 Functional ≤ 10μM
Z81020-1-O HepG2 (Hepatoblastoma Cells) (cluster #1 Of 8), Other Other 2310 0.23 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50606 Z50606 Hepatitis B Virus 5100 0.21 Functional ≤ 10μM
Z81020 Z81020 HepG2 (Hepatoblastoma Cells) 2310 0.23 Functional ≤ 10μM
Z50607 Z50607 Human Immunodeficiency Virus 1 120 0.28 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )