| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2005 | 34 | No |
Popular Name: ADEFOVIR DIPIVOXIL ADEFOVIR DIPIVOXIL
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 142340-99-6 , [142340-99-6]
(((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)phosphinylidene)bis(oxymethylene) 2,2-dimethylpropanoate
((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)phosphonic acid, diester with hydroxymethyl pivalate
142340-99-6; Adefovir dipivoxil (USAN); Adefovir pivoxil (JAN); D01655; Hepsera (TN)
17-Allylamino-17-demethoxygeldanamycin hydroquinone hydrochloride
9-(2-((-Bis((pivaloyloxy)methoxy)phosphinyl)methoxy)ethyl)adenine
9-(2-((Bis((pivaloyloxy)methoxy)phosphinyl)methoxy)ethyl)adenine
9-(2[Bis(pivaloyloxymethoxy)phosphorylmethoxy]ethyl)adenine
Adefovir Dipivoxil (Preveon, Hepsera)
Adefovir dipivoxil, Antibiotic for Culture Media Use Only
Adefovir;Adefovir pivoxil;Adefovirdipivoxl;ADV;Bis-POM PMEA;GS-840;PMEA
ADV;Adefovir;Adefovir pivoxil;Adefovirdipivoxl;Bis-POM PMEA;GS-840;PMEA
Bis(pivaloyloxymethyl)-9-(2-phosphonylmethoxyethyl)adenine
Bis-POM PMEA, Adefovir Dipivoxil
Bis-POM PMEA, Preveon, Hepsera
| 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) | 2.67 | 10.58 | -21.49 | 2 | 13 | 0 | 167 | 501.477 | 15 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 6.33e-01 g/l | DrugBank-approved |
| Target | Others | Selleck Chemicals |
| Target | Reverse Transcriptase | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z101682-1-O | BK Polyomavirus (cluster #1 Of 2), Other | Other | 700 | 0.25 | Functional ≤ 10μM |
| Z50600-1-O | Vaccinia Virus (cluster #1 Of 2), Other | Other | 5100 | 0.22 | Functional ≤ 10μM |
| Z50606-1-O | Hepatitis B Virus (cluster #1 Of 3), Other | Other | 9800 | 0.21 | Functional ≤ 10μM |
| Z50607-1-O | Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other | Other | 180 | 0.28 | Functional ≤ 10μM |
| Z50658-2-O | Human Immunodeficiency Virus 2 (cluster #2 Of 4), Other | Other | 75 | 0.29 | Functional ≤ 10μM |
| Z80076-1-O | CEM-SS (T-cell Leukemia) (cluster #1 Of 5), Other | Other | 40 | 0.30 | Functional ≤ 10μM |
| Z80291-2-O | MRC5 (Embryonic Lung Fibroblast Cells) (cluster #2 Of 3), Other | Other | 910 | 0.25 | Functional ≤ 10μM |
| Z80295-2-O | MT4 (Lymphocytes) (cluster #2 Of 8), Other | Other | 80 | 0.29 | Functional ≤ 10μM |
| Z80583-7-O | Vero (Kidney Cells) (cluster #7 Of 7), Other | Other | 870 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z101682 | Z101682 | BK Polyomavirus | 700 | 0.25 | Functional ≤ 10μM |
| Z80076 | Z80076 | CEM-SS (T-cell Leukemia) | 40 | 0.30 | Functional ≤ 10μM |
| Z50606 | Z50606 | Hepatitis B Virus | 10000 | 0.21 | Functional ≤ 10μM |
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 180 | 0.28 | Functional ≤ 10μM |
| Z50658 | Z50658 | Human Immunodeficiency Virus 2 | 75 | 0.29 | Functional ≤ 10μM |
| Z80291 | Z80291 | MRC5 (Embryonic Lung Fibroblast Cells) | 1230 | 0.24 | Functional ≤ 10μM |
| Z80295 | Z80295 | MT4 (Lymphocytes) | 80 | 0.29 | Functional ≤ 10μM |
| Z50600 | Z50600 | Vaccinia Virus | 5100 | 0.22 | Functional ≤ 10μM |
| Z80583 | Z80583 | Vero (Kidney Cells) | 1150 | 0.24 | Functional ≤ 10μM |
