Common name
propane
IUPAC name
propane
SMILES
C(C)C
Common name
propane
IUPAC name
propane
SMILES
C(C)C
INCHI
InChI=1S/C3H8/c1-3-2/h3H2,1-2H3
FORMULA
C3H8
Common name
propane
IUPAC name
propane
Molecular weight
44.096
clogP
0.450
clogS
-0.824
Frequency
0.2412
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00638 | Tirofiban |
|
Fibrinolytic Agents; Platelet Aggregation Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; | For treatment, in combination with heparin, of acute coronary syndrome, including patients who are to be managed medically and those undergoing PTCA or atherectomy. |
| FDBD00640 | Propiomazine |
|
Hypnotics and Sedatives; Adrenergic alpha-1 Receptor Antagonists; Histamine Antagonists; Antiemetics; Nervous System; Psycholeptics; | Propiomazine is largely used for its antihistamininc sleep inducing effects in treating insomnia. |
| FDBD00644 | Polymyxin B Sulfate |
|
Anti-Bacterial Agents; Antibiotics; Ophthalmologicals; Sensory Organs; Alimentary Tract and Metabolism; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antiinfectives; Antibacterials for Intramammary Use; Antidiarrheals, Intestinal Anti-Inflammatory/antiinfective Agents; Otologicals; Ophthalmological and Otological Preparations; Intestinal Antiinfectives; Polymyxins; | For treatment of infections of the urinary tract, meninges, and blood stream, caused by susceptible strains of . |
| FDBD00645 | Propantheline |
|
Anti-Ulcer Agents; Muscarinic Antagonists; Antispasmodics; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Quaternary Ammonium Compounds; | For the treatment of enuresis. It has also been used for hyperhidrosis, and cramps or spasms of the stomach, intestines or bladder. |
| FDBD00648 | Marimastat |
|
Enzyme Inhibitors; | For the treatment of various cancers. |
| FDBD00652 | Perindopril |
|
Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Lipid Modifying Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; ACE Inhibitors and Calcium Channel Blockers; | For the treatment of mild to moderate essential hypertension, mild to moderate congestive heart failure, and to reduce the cardiovascular risk of individuals with hypertension or post-myocardial infarction and stable coronary disease. |
| FDBD00665 | Colistin |
|
Anti-Bacterial Agents; Antibiotics; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antibacterials for Intramammary Use; Antidiarrheals, Intestinal Anti-Inflammatory/antiinfective Agents; Antiinfectives and Antiseptics for Intrauterine Use; Intestinal Antiinfectives; Polymyxins; | For the treatment of acute or chronic infections due to sensitive strains of certain gram-negative bacilli, particularly . |
| FDBD00668 | Pentoxifylline |
|
Platelet Aggregation Inhibitors; Phosphodiesterase Inhibitors; Vasodilator Agents; Free Radical Scavengers; Radiation-Protective Agents; Hematologic Agents; Hemorrheologic Agents; Cardiovascular System; Peripheral Vasodilators; Purine Derivatives; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; | For the treatment of patients with intermittent lameness or immobility arising from chronic occlusive arterial disease of the limbs. |
| FDBD00669 | Proparacaine |
|
Anesthetics, Local; Ophthalmologicals; Sensory Organs; Local Anesthetics; | Used as a local (ophthalmic) anesthetic. |
| FDBD00674 | Phenylbutazone |
|
Anti-Inflammatory Agents, Non-Steroidal; Musculo-Skeletal System; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Antiinflammatory Preparations, Non-Steroids for Topical Use; Topical Products for Joint and Muscular Pain; Butylpyrazolidines; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; CYP3A4 Inhibitors; | For the treatment of backache and ankylosing spondylitis. |
702 ,
71
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3f_ligand_1_3.mol2 | 4m3f | 1 | -6.56 | CC(C)C | 4 |
| 3cvk_ligand_1_3.mol2 | 3cvk | 1 | -6.55 | CC(C)(C)C | 5 |
| 1usk_ligand_1_1.mol2 | 1usk | 1 | -6.54 | CC(C)C | 4 |
| 4hmk_ligand_1_1.mol2 | 4hmk | 1 | -6.53 | CC(C)C | 4 |
| 3f3e_ligand_1_1.mol2 | 3f3e | 1 | -6.51 | C(C)(C)C | 4 |
| 3gjd_ligand_1_1.mol2 | 3gjd | 1 | -6.50 | CC(C)C | 4 |
| 4hod_ligand_1_1.mol2 | 4hod | 1 | -6.48 | CC(C)C | 4 |
| 1yt7_ligand_1_7.mol2 | 1yt7 | 1 | -6.46 | CC(C)(C)C | 5 |
6909 ,
691
