| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 3rd, 2008 | 18 | No |
Popular Name: Adefovir Adefovir
Find On: PubMed — Wikipedia — Google
CAS Numbers: 106941-25-7 , [106941-25-7]
((2-(6-Amino-9H-purin-9-yl)ethoxy)-methyl)phosphonic acid
((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)phosphonic acid
106941-25-7; 9-(2-Phosphonylmethoxyethyl)adenine; Adefovir; C11277; PMEA
106941-25-7; Adefovir (USAN/INN); D02768
| 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) | -0.98 | 0.91 | -42.93 | 3 | 9 | -1 | 139 | 272.181 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | >98% | APIChem |
| Indications | antiviral | KeyOrganics Bioactives |
| Indications | hepatitis B, herpes simplex virus | KeyOrganics Bioactives |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102020-1-O | Porcine Endogenous Retrovirus (cluster #1 Of 1), Other | Other | 3400 | 0.43 | Functional ≤ 10μM |
| Z50515-2-O | Human Herpesvirus 2 (cluster #2 Of 2), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Z50527-3-O | Human Herpesvirus 3 (cluster #3 Of 3), Other | Other | 5000 | 0.41 | Functional ≤ 10μM |
| Z50530-1-O | Human Herpesvirus 5 (cluster #1 Of 5), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Z50602-2-O | Human Herpesvirus 1 (cluster #2 Of 5), Other | Other | 200 | 0.52 | Functional ≤ 10μM |
| Z50606-1-O | Hepatitis B Virus (cluster #1 Of 3), Other | Other | 7700 | 0.40 | Functional ≤ 10μM |
| Z50607-2-O | Human Immunodeficiency Virus 1 (cluster #2 Of 10), Other | Other | 7900 | 0.40 | Functional ≤ 10μM |
| Z50611-2-O | Moloney Murine Leukemia Virus (cluster #2 Of 3), Other | Other | 530 | 0.49 | Functional ≤ 10μM |
| Z50612-1-O | Moloney Murine Sarcoma Virus (cluster #1 Of 2), Other | Other | 2200 | 0.44 | Functional ≤ 10μM |
| Z50658-2-O | Human Immunodeficiency Virus 2 (cluster #2 Of 4), Other | Other | 6600 | 0.40 | Functional ≤ 10μM |
| Z80052-1-O | C8166 (Leukemic T-cells) (cluster #1 Of 3), Other | Other | 1700 | 0.45 | Functional ≤ 10μM |
| Z80076-1-O | CEM-SS (T-cell Leukemia) (cluster #1 Of 5), Other | Other | 420 | 0.50 | Functional ≤ 10μM |
| Z80295-4-O | MT4 (Lymphocytes) (cluster #4 Of 8), Other | Other | 7500 | 0.40 | Functional ≤ 10μM |
| Z80874-7-O | CEM (T-cell Leukemia) (cluster #7 Of 7), Other | Other | 7000 | 0.40 | Functional ≤ 10μM |
| Z81020-5-O | HepG2 (Hepatoblastoma Cells) (cluster #5 Of 8), Other | Other | 2000 | 0.44 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80052 | Z80052 | C8166 (Leukemic T-cells) | 1500 | 0.45 | Functional ≤ 10μM |
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 10000 | 0.39 | Functional ≤ 10μM |
| Z80076 | Z80076 | CEM-SS (T-cell Leukemia) | 420 | 0.50 | Functional ≤ 10μM |
| Z50606 | Z50606 | Hepatitis B Virus | 1300 | 0.46 | Functional ≤ 10μM |
| Z81020 | Z81020 | HepG2 (Hepatoblastoma Cells) | 2000 | 0.44 | Functional ≤ 10μM |
| Z50602 | Z50602 | Human Herpesvirus 1 | 0.1 | 0.78 | Functional ≤ 10μM |
| Z50515 | Z50515 | Human Herpesvirus 2 | 0.1 | 0.78 | Functional ≤ 10μM |
| Z50527 | Z50527 | Human Herpesvirus 3 | 0.1 | 0.78 | Functional ≤ 10μM |
| Z50530 | Z50530 | Human Herpesvirus 5 | 0.1 | 0.78 | Functional ≤ 10μM |
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 0.1 | 0.78 | Functional ≤ 10μM |
| Z50658 | Z50658 | Human Immunodeficiency Virus 2 | 0.1 | 0.78 | Functional ≤ 10μM |
| Z50611 | Z50611 | Moloney Murine Leukemia Virus | 530 | 0.49 | Functional ≤ 10μM |
| Z50612 | Z50612 | Moloney Murine Sarcoma Virus | 2100 | 0.44 | Functional ≤ 10μM |
| Z80295 | Z80295 | MT4 (Lymphocytes) | 2000 | 0.44 | Functional ≤ 10μM |
| Z102020 | Z102020 | Porcine Endogenous Retrovirus | 3400 | 0.43 | Functional ≤ 10μM |
