Common name
N-(dihydroxy-λ3-sulfanyl)-N-methyl-methanamine
IUPAC name
N-(dihydroxy-λ3-sulfanyl)-N-methyl-methanamine
SMILES
[S](O)(O)N(C)C
Common name
N-(dihydroxy-λ3-sulfanyl)-N-methyl-methanamine
IUPAC name
N-(dihydroxy-λ3-sulfanyl)-N-methyl-methanamine
SMILES
[S](O)(O)N(C)C
INCHI
InChI=1S/C2H8NO2S/c1-3(2)6(4)5/h4-5H,1-2H3
FORMULA
C2H8NO2S
Common name
N-(dihydroxy-λ3-sulfanyl)-N-methyl-methanamine
IUPAC name
N-(dihydroxy-λ3-sulfanyl)-N-methyl-methanamine
Molecular weight
110.155
clogP
-2.649
clogS
1.108
Frequency
0.0041
HBond Acceptor
3
HBond Donor
2
Total PolarSurface Area
43.7
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00566 | Amprenavir |
|
Anti-HIV Agents; Antibiotics, Antitubercular; Protease Inhibitors; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment of HIV-1 infection in combination with other antiretroviral agents. |
| FDBD00885 | Probenecid |
|
Adjuvants, Pharmaceutic; Uricosuric Agents; Musculo-Skeletal System; Antigout Preparations; Preparations Increasing Uric Acid Excretion; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; | For the reduction of serum uric acid concentrations in chronic gouty arthritis and tophaceous gout in patients with frequent disabling gout attacks. Has also been effectively used to promote uric acid excretion in hyperuricemia secondary to the administration of thiazide and related diuretics. |
| FDBD01106 | Darunavir |
|
Protease Inhibitors; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; CYP3A4 Inhibitors; | Darunavir, co-administered with ritonavir, and with other antiretroviral agents, is indicated for the treatment of human immunodeficiency virus (HIV) infection in antiretroviral treatment-experienced adult patients, such as those with HIV-1 strains resistant to more than one protease inhibitor. |
| FDBD01127 | Fosamprenavir |
|
Anti-HIV Agents; Protease Inhibitors; HIV Protease Inhibitors; Prodrugs; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; CYP3A4 Inhibitors; | Indicated in combination with other antiretroviral agents for the treatment of human immunodeficiency virus (HIV-1) infection, as well as postexposure prophylaxis of HIV infection in individuals who have had occupational or nonoccupational exposure to potentially infectious body fluids of a person known to be infected with HIV when that exposure represents a substantial risk for HIV transmission. The use of fosamprenavir is pending revision due to a potential association between the drug and myocardial infarction and dyslipidemia in HIV infected adults. |
| FDBD01270 | Pipotiazine |
|
Antipsychotic Agents; Phenothiazines; Nervous System; Psycholeptics; Phenothiazines With Piperidine Structure; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the maintenance treatment of chronic non-agitated schizophrenic patients. |
| FDBD01271 | Thioproperazine |
|
Antipsychotic Agents; Adrenergic alpha-1 Receptor Antagonists; Phenothiazines; Nervous System; Psycholeptics; Phenothiazines With Piperazine Structure; | For the treatment of all types of acute and chronic schizophrenia, including those which did not respond to the usual neuroleptics; manic syndromes. |
| FDBD01272 | Thiothixene |
|
Antipsychotic Agents; Dopamine Antagonists; Thioxanthenes; Nervous System; Psycholeptics; Thioxanthene Derivatives; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the management of schizophrenia. |
| FDBD01597 | Dimetotiazine |
|
Analgesics; Nervous System; Antimigraine Preparations; | |
| FDBD02175 | famphur |
|
Insecticide | Insecticide |
| FDBD02963 | amisulbrom |
|
Fungicide | Fungicide |
12 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2jsd_ligand_2_11.mol2 | 2jsd | 1 | -5.59 | CN([S](O)O)C | 6 |
| 2jnp_ligand_2_11.mol2 | 2jnp | 1 | -5.55 | [S](O)(O)N(C)C | 6 |
| 4xm6_ligand_2_10.mol2 | 4xm6 | 1 | -5.54 | N([S](O)O)(C)C | 6 |
| 1z3j_ligand_2_9.mol2 | 1z3j | 1 | -5.47 | CN([S](O)O)C | 6 |
| 4xm8_ligand_2_8.mol2 | 4xm8 | 1 | -5.47 | CN([S](O)O)C | 6 |
| 2jt5_ligand_2_11.mol2 | 2jt5 | 1 | -5.46 | N([S](O)O)(C)C | 6 |
| 4g5y_ligand_frag_0.mol2 | 4g5y | 1 | -5.46 | CN([S](O)O)C | 6 |
| 4efk_ligand_frag_0.mol2 | 4efk | 1 | -5.44 | CN([S](O)O)C | 6 |
| 3f15_ligand_2_0.mol2 | 3f15 | 1 | -5.42 | N([S](O)O)(C)C | 6 |
| 3f18_ligand_2_4.mol2 | 3f18 | 1 | -5.41 | O[S](O)N(C)C | 6 |
166 ,
17
