| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2008 | 19 | No |
Popular Name: Tenofovir Tenofovir
Find On: PubMed — Wikipedia — Google
CAS Numbers: 147127-20-6 , 107021-12-5; 147127-20-6; 206184-49-8 , 147127-20-6 , 202138-50-9 , 206184-49-8 , [14127-20-9] , [147127-20-6] , [202138-50-9] , [206184-49-8]
(R)-(((1-(6-Amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphonic acid
(R)-(((1-(6-Amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphonic acid hydrate
(R)-9-(2-Phosphonomethoxypropyl)adenine
(R)-9-(2-Phosphonylmethoxypropyl)adenine
(R)-9-[2-(Phosphonomethoxy)propyl]adenine
(R)-PMPA; anh. tenofovir; anhydrous tenofovir; tenofovir (anh.)
({[1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)phosphonic acid
yl)-1-methylethoxy]methyl]-, (R)-
147127-20-6; D06074; Tenofovir (USAN); Tenofovir hydrate
9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)phosphinyl)methoxy)propyl)adenine fumarate
9-[ -2- propyl]adeninemonohydrate
9-[(R)-2-(Phosphonomethoxy)propyl]adenine monohydrate
9-[2-(Phosphonomethoxy)propyl]adenine
D,L-Tenofovir;PMPA;TDF;Tenofovir disoproxil;Tenofovir disoproxil fumarate
Phosphonic acid, P-[[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-
Phosphonic acid, [[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-
Phosphonic acid, [[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]- (9CI)
Phosphonic acid, [[2-(6-amino-9H-purin-9
Tenofovir disoproxil fumarate, 97%+
Tenofovir disoproxil;Tenofovir disoproxil fumarate;D,L-Tenofovir;TDF;PMPA
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid
{[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxy}methylphosphonic acid
| 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) | -0.62 | 1.5 | -46.54 | 3 | 9 | -1 | 139 | 286.208 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.87e+00 g/l | DrugBank-approved |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| biological_use | Anti-HIV agent | IBScreen Bioactives |
| biological_use | Antiretroviral drugs | IBScreen Bioactives IBScreen Bioactives |
| Indications | antiviral | KeyOrganics Bioactives |
| Therapy | antiviral, RT inhibitor | SMDC Pharmakon |
| Indications | HIV | KeyOrganics Bioactives |
| Warnings | IRRITANT | Matrix Scientific |
| UniProt Database Links | POL_HV190; POL_HV192; POL_HV193; POL_HV196; POL_HV197; POL_HV19N; POL_HV1A2; POL_HV1AN; POL_HV1B1; POL_HV1B5; POL_HV1B9; POL_HV1BR; POL_HV1EL; POL_HV1ET; POL_HV1H2; POL_HV1JR; POL_HV1LW; POL_HV1M2; POL_HV1MA; POL_HV1MN; POL_HV1MP; POL_HV1MV; POL_HV1N5; PO | ChEBI |
| Target | Reverse Transcriptase | Selleck Chemicals |
| mechanism | Reverse transcriptase inhibitor | IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102020-1-O | Porcine Endogenous Retrovirus (cluster #1 Of 1), Other | Other | 2800 | 0.41 | Functional ≤ 10μM |
| Z50606-1-O | Hepatitis B Virus (cluster #1 Of 3), Other | Other | 7200 | 0.38 | Functional ≤ 10μM |
| Z50607-1-O | Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other | Other | 940 | 0.44 | Functional ≤ 10μM |
| Z50611-2-O | Moloney Murine Leukemia Virus (cluster #2 Of 3), Other | Other | 230 | 0.49 | Functional ≤ 10μM |
| Z50612-1-O | Moloney Murine Sarcoma Virus (cluster #1 Of 2), Other | Other | 4600 | 0.39 | Functional ≤ 10μM |
| Z50658-2-O | Human Immunodeficiency Virus 2 (cluster #2 Of 4), Other | Other | 7200 | 0.38 | Functional ≤ 10μM |
| Z50677-1-O | Human Immunodeficiency Virus (cluster #1 Of 3), Other | Other | 3600 | 0.40 | Functional ≤ 10μM |
| Z80295-4-O | MT4 (Lymphocytes) (cluster #4 Of 8), Other | Other | 2300 | 0.42 | Functional ≤ 10μM |
| Z80874-7-O | CEM (T-cell Leukemia) (cluster #7 Of 7), Other | Other | 3670 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 3670 | 0.40 | Functional ≤ 10μM |
| Z50606 | Z50606 | Hepatitis B Virus | 2250 | 0.42 | Functional ≤ 10μM |
| Z50677 | Z50677 | Human Immunodeficiency Virus | 3600 | 0.40 | Functional ≤ 10μM |
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 0.1 | 0.74 | Functional ≤ 10μM |
| Z50658 | Z50658 | Human Immunodeficiency Virus 2 | 1400 | 0.43 | Functional ≤ 10μM |
| Z50611 | Z50611 | Moloney Murine Leukemia Virus | 230 | 0.49 | Functional ≤ 10μM |
| Z50612 | Z50612 | Moloney Murine Sarcoma Virus | 4600 | 0.39 | Functional ≤ 10μM |
| Z80295 | Z80295 | MT4 (Lymphocytes) | 1400 | 0.43 | Functional ≤ 10μM |
| Z102020 | Z102020 | Porcine Endogenous Retrovirus | 2800 | 0.41 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.