Common name
N-(dihydroxy-λ3-sulfanyl)ethanamine
IUPAC name
N-(dihydroxy-λ3-sulfanyl)ethanamine
SMILES
CCN[S](O)O
Common name
N-(dihydroxy-λ3-sulfanyl)ethanamine
IUPAC name
N-(dihydroxy-λ3-sulfanyl)ethanamine
SMILES
CCN[S](O)O
INCHI
InChI=1S/C2H8NO2S/c1-2-3-6(4)5/h3-5H,2H2,1H3
FORMULA
C2H8NO2S
Common name
N-(dihydroxy-λ3-sulfanyl)ethanamine
IUPAC name
N-(dihydroxy-λ3-sulfanyl)ethanamine
Molecular weight
110.155
clogP
-2.204
clogS
0.375
Frequency
0.0024
HBond Acceptor
2
HBond Donor
3
Total PolarSurface Area
52.49
Number of Rings
0
Rotatable Bond
2
| 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. |
| 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. |
| FDBD01679 | Quinagolide |
|
Genito Urinary System and Sex Hormones; Prolactine Inhibitors; | |
| FDBD01926 | flursulamid |
|
Insecticide | Insecticide |
| FDBD01929 | sulfluramid |
|
Insecticide | Insecticide |
| FDBD02590 | bensulide |
|
Herbicide | Herbicide |
7 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3f_ligand_2_4.mol2 | 4m3f | 1 | -5.98 | CCN[S](O)O | 6 |
| 4m3g_ligand_2_7.mol2 | 4m3g | 1 | -5.97 | C(N[S](O)O)C | 6 |
| 2cli_ligand_2_15.mol2 | 2cli | 1 | -5.76 | [S](NCC)(O)O | 6 |
| 2cll_ligand_2_15.mol2 | 2cll | 1 | -5.75 | CCN[S](O)O | 6 |
| 2clo_ligand_2_8.mol2 | 2clo | 1 | -5.75 | CCN[S](O)O | 6 |
| 2clh_ligand_2_8.mol2 | 2clh | 1 | -5.74 | [S](O)(O)NCC | 6 |
| 3d78_ligand_2_3.mol2 | 3d78 | 1 | -5.74 | O[S](O)NCC | 6 |
| 4jxw_ligand_2_7.mol2 | 4jxw | 1 | -5.73 | C(C)N[S](O)O | 6 |
| 2g71_ligand_2_7.mol2 | 2g71 | 1 | -5.70 | CCN[S](O)O | 6 |
| 2il2_ligand_2_45.mol2 | 2il2 | 1 | -5.63 | O[S](O)NCC | 6 |
114 ,
12
