Common name
propane-1-thiol
IUPAC name
propane-1-thiol
SMILES
CCCS
Common name
propane-1-thiol
IUPAC name
propane-1-thiol
SMILES
CCCS
INCHI
InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3
FORMULA
C3H8S
Common name
propane-1-thiol
IUPAC name
propane-1-thiol
Molecular weight
76.161
clogP
0.798
clogS
-1.058
Frequency
0.0062
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
38.8
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00344 | Montelukast |
|
Anti-Asthmatic Agents; Anti-Arrhythmia Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Leukotriene Receptor Antagonists; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of asthma. |
| FDBD00388 | Albendazole |
|
Antiprotozoal Agents; Tubulin Modulators; Antinematodal Agents; Anthelmintics; Anticestodal Agents; Antiparasitic Products, Insecticides and Repellents; Benzimidazole Derivatives; Benzimidazoles and Related Substances; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP3A4 Inhibitors; | For the treatment of parenchymal neurocysticercosis due to active lesions caused by larval forms of the pork tapeworm, . |
| FDBD00504 | Butoconazole |
|
Antifungal Agents; Genito Urinary System and Sex Hormones; Gynecological Antiinfectives and Antiseptics; Imidazole Derivatives; | For the local treatment of vulvovaginal candidiasis (infections caused by Candida). |
| FDBD01043 | Captopril |
|
Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of essential or renovascular hypertension (usually administered with other drugs, particularly thiazide diuretics). May be used to treat congestive heart failure in combination with other drugs (e.g. cardiac glycosides, diuretics, β-adrenergic blockers). May improve survival in patients with left ventricular dysfunction following myocardial infarction. May be used to treat nephropathy, including diabetic nephropathy. |
| FDBD01247 | Cilastatin |
|
Protease Inhibitors; | Combined intravenously with imipenem in order to protect it from dehydropeptidase and prolong its antibacterial effect. |
| FDBD01529 | Ticagrelor |
|
Platelet Aggregation Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; Purinergic P2Y Receptor Antagonists; CYP3A4 Inhibitors; | For the prevention of thrombotic events (for example stroke or heart attack) in patients with acute coronary syndrome or myocardial infarction with ST elevation. |
| FDBD02030 | bensultap |
|
Insecticide | Insecticide |
| FDBD02034 | thiosultap |
|
Insecticide | Insecticide |
| FDBD02096 | ethoprophos |
|
Insecticide | Insecticide |
| FDBD02131 | pyraclofos |
|
Insecticide | Insecticide |
18 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3m2u_ligand_2_30.mol2 | 3m2u | 1 | -6.19 | C(S)CC | 4 |
| 1cx9_ligand_3_10.mol2 | 1cx9 | 1 | -6.09 | SCCC | 4 |
| 1c9d_ligand_3_13.mol2 | 1c9d | 1 | -6.04 | C(CC)S | 4 |
| 1c8v_ligand_3_16.mol2 | 1c8v | 1 | -6.03 | CCCS | 4 |
| 2fj0_ligand_3_100.mol2 | 2fj0 | 1 | -6.00 | C(S)CC | 4 |
| 4zun_ligand_2_20.mol2 | 4zun | 1 | -6.00 | C(S)CC | 4 |
| 4wko_ligand_3_21.mol2 | 4wko | 1 | -5.95 | CCCS | 4 |
| 3ips_ligand_3_64.mol2 | 3ips | 1 | -5.91 | CCCS | 4 |
| 4bfp_ligand_3_21.mol2 | 4bfp | 1 | -5.88 | SCCC | 4 |
| 1jq3_ligand_3_84.mol2 | 1jq3 | 1 | -5.87 | C(C)CS | 4 |
119 ,
12
