Common name
N-(dihydroxy-λ3-sulfanyl)methanamine
IUPAC name
N-(dihydroxy-λ3-sulfanyl)methanamine
SMILES
CN[S](O)O
Common name
N-(dihydroxy-λ3-sulfanyl)methanamine
IUPAC name
N-(dihydroxy-λ3-sulfanyl)methanamine
SMILES
CN[S](O)O
INCHI
InChI=1S/CH6NO2S/c1-2-5(3)4/h2-4H,1H3
FORMULA
CH6NO2S
Common name
N-(dihydroxy-λ3-sulfanyl)methanamine
IUPAC name
N-(dihydroxy-λ3-sulfanyl)methanamine
Molecular weight
96.129
clogP
-1.571
clogS
0.803
Frequency
0.0038
HBond Acceptor
2
HBond Donor
3
Total PolarSurface Area
52.49
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00165 | Argatroban |
|
Antithrombins; Platelet Aggregation Inhibitors; Direct Thrombin Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; CYP3A4 Inhibitors; | Argatroban is indicated for prevention and treatment of thrombosis caused by heparin induced thrombocytopenia (HIT). It is also indicated for use in patients with, or at risk for, HIT who are undergoing percutaneous coronary intervention. |
| FDBD00534 | Sumatriptan |
|
Vasoconstrictor Agents; Analgesics; Serotonin Antagonists; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Agonists; Nervous System; Selective Serotonin (5Ht1) Agonists; Antimigraine Preparations; | For the treatment of migraine attacks with or without aura. |
| 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. |
| FDBD00807 | Naratriptan |
|
Analgesics; Serotonin Antagonists; Serotonin Receptor Agonists; Nervous System; Selective Serotonin (5Ht1) Agonists; Antimigraine Preparations; | For the acute treatment of migraine attacks with or without aura in adults. |
| 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. |
| FDBD01400 | Udenafil |
|
Genito Urinary System and Sex Hormones; Drugs Used in Erectile Dysfunction; Urological Agents; CYP3A4 Inhibitors; | Investigated for use/treatment in erectile dysfunction and hypertension. |
| FDBD01926 | flursulamid |
|
Insecticide | Insecticide |
| FDBD02402 | triafamone |
|
Herbicide | Herbicide |
11 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3f_ligand_1_1.mol2 | 4m3f | 1 | -5.58 | O[S](O)NC | 5 |
| 4m3g_ligand_1_2.mol2 | 4m3g | 1 | -5.58 | CN[S](O)O | 5 |
| 4jxs_ligand_1_1.mol2 | 4jxs | 1 | -5.50 | CN[S](O)O | 5 |
| 4jxw_ligand_1_3.mol2 | 4jxw | 1 | -5.48 | CN[S](O)O | 5 |
| 4yff_ligand_frag_3.mol2 | 4yff | 1 | -5.48 | N([S](O)O)C | 5 |
| 2jsd_ligand_1_3.mol2 | 2jsd | 1 | -5.47 | [S](O)(O)NC | 5 |
| 4yfi_ligand_frag_3.mol2 | 4yfi | 1 | -5.46 | N([S](O)O)C | 5 |
| 2jnp_ligand_1_3.mol2 | 2jnp | 1 | -5.45 | [S](O)(O)NC | 5 |
| 2jsd_ligand_1_2.mol2 | 2jsd | 1 | -5.44 | CN[S](O)O | 5 |
| 3d78_ligand_1_1.mol2 | 3d78 | 1 | -5.44 | O[S](O)NC | 5 |
535 ,
54
