Common name
methylphosphonic acid
IUPAC name
methylphosphonic acid
SMILES
P(=O)(O)(O)C
Common name
methylphosphonic acid
IUPAC name
methylphosphonic acid
SMILES
P(=O)(O)(O)C
INCHI
InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)
FORMULA
CH5O3P
Common name
methylphosphonic acid
IUPAC name
methylphosphonic acid
Molecular weight
96.022
clogP
-0.249
clogS
0.951
Frequency
0.0027
HBond Acceptor
3
HBond Donor
2
Total PolarSurface Area
57.53
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00187 | Tenofovir |
|
Antiviral Agents; Anti-HIV Agents; Reverse Transcriptase Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Nucleoside and Nucleotide Reverse Transcriptase Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; | Tenofovir is indicated in combination with other antiretroviral agents for the treatment of HIV-1 infection in adults and pediatric patients 2 years of age and older. It is also indicated for the treatment of chronic hepatitis B in adults and pediatric patients 12 years of age and older. |
| FDBD00252 | Cidofovir |
|
Antineoplastic Agents; Antiviral Agents; Anti-HIV Agents; Radiation-Sensitizing Agents; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Nucleosides and Nucleotides Excl. Reverse Transcriptase Inhibitors; | For the treatment of CMV retinitis in patients with acquired immunodeficiency syndrome (AIDS). |
| FDBD00582 | Adefovir Dipivoxil |
|
Antiviral Agents; Reverse Transcriptase Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Nucleoside and Nucleotide Reverse Transcriptase Inhibitors; | For the treatment of chronic hepatitis B in adults with evidence of active viral replication and either evidence of persistent elevations in serum aminotransferases (ALT or AST) or histologically active disease. |
| FDBD00982 | Tiludronate |
|
Bone Density Conservation Agents; Antihypocalcemic Agents; Bisphosphonates; Musculo-Skeletal System; Drugs Affecting Bone Structure and Mineralization; Drugs for Treatment of Bone Diseases; | For treatment of Paget's disease of bone (osteitis deformans). |
| FDBD01397 | Incadronate |
|
Bone Density Conservation Agents; | For the treatment of hypercalcemia associated with malignant disease. |
| FDBD01707 | Technetium Tc-99m Medronate |
|
Diagnostic Radiopharmaceuticals; Technetium (99Mtc) Compounds; Skeleton; Radiopharmaceuticals; | |
| FDBD02370 | huangcaoling |
|
Herbicide | Herbicide |
| FDBD02600 | glyphosate |
|
Herbicide | Herbicide |
8 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2pu0_ligand_1_1.mol2 | 2pu0 | 1 | -6.32 | CP(=O)(O)O | 5 |
| 1oth_ligand_1_5.mol2 | 1oth | 1 | -6.29 | CP(=O)(O)O | 5 |
| 2h3e_ligand_1_0.mol2 | 2h3e | 1 | -6.29 | OP(=O)(O)C | 5 |
| 1d09_ligand_1_0.mol2 | 1d09 | 1 | -6.28 | P(=O)(O)(O)C | 5 |
| 2ptz_ligand_1_1.mol2 | 2ptz | 1 | -6.28 | CP(=O)(O)O | 5 |
| 1ebg_ligand_1_1.mol2 | 1ebg | 1 | -6.23 | OP(=O)(O)C | 5 |
| 1q95_ligand_1_0.mol2 | 1q95 | 1 | -6.23 | P(=O)(O)(O)C | 5 |
| 2ipo_ligand_1_0.mol2 | 2ipo | 1 | -6.10 | OP(=O)(O)C | 5 |
230 ,
24
