Common name
propan-1-ol
IUPAC name
propan-1-ol
SMILES
C(O)CC
Common name
propan-1-ol
IUPAC name
propan-1-ol
SMILES
C(O)CC
INCHI
InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
FORMULA
C3H8O
Common name
propan-1-ol
IUPAC name
propan-1-ol
Molecular weight
60.095
clogP
0.038
clogS
-0.327
Frequency
0.0330
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01097 | Ergonovine |
|
Oxytocics; Genito Urinary System and Sex Hormones; Uterotonics; Ergot Alkaloids; CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Used to treat postpartum haemorrhage and postabortion haemorrhage in patients with uterine atony. |
| 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. |
| FDBD01160 | Ephedrine |
|
Vasoconstrictor Agents; Adrenergic Agents; Central Nervous System Stimulants; Sympathomimetics; Respiratory System; Ophthalmologicals; Sensory Organs; Drugs for Obstructive Airway Diseases; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Nasal Preparations; Cardiovascular System; Centrally Acting Antiobesity Products; Antiobesity Preparations, Excl. Diet Products; Cardiac Therapy; Adrenergic and Dopaminergic Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Adrenergics for Systemic Use; Sympathomimetics, Plain; Sympathomimetics Excl. Antiglaucoma Preparations; Mydriatics and Cycloplegics; Alpha- and Beta-Adrenoreceptor Agonists; Urological Agents; | Ephedrine commonly used as a stimulant, appetite suppressant, concentration aid, decongestant, and to treat hypotension associated with anaesthesia. |
| FDBD01187 | Pranlukast |
|
Anti-Asthmatic Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Leukotriene Receptor Antagonists; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; CYP3A4 Inhibitors; | Used as an adjunct to the standard therapy of inhaled steroids with inhaled long- and/or short-acting beta-agonists. |
| FDBD01251 | Lopinavir |
|
Anti-HIV Agents; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 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; | Indicated in combination with other antiretroviral agents for the treatment of HIV-infection. |
| FDBD01262 | Amyl Nitrite |
|
Vasodilator Agents; Antidotes; | For the rapid relief of angina pectoris. |
| FDBD01322 | Clofedanol |
|
Histamine Antagonists; Cough and Cold Preparations; Respiratory System; | Used in the treatment of dry cough. |
| FDBD01333 | Dronedarone |
|
Anti-Arrhythmia Agents; Adrenergic alpha-1 Receptor Antagonists; Cardiovascular System; Antiarrhythmics, Class III; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Management of paroxysmal or persistent atrial fibrillation via restoration of normal sinus rhythm. |
| FDBD01352 | Iloperidone |
|
Antipsychotic Agents; Adrenergic alpha-1 Receptor Antagonists; Nervous System; Psycholeptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | Treatment of acute schizophrenia. |
| FDBD01385 | Silodosin |
|
Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Genito Urinary System and Sex Hormones; Drugs Used in Benign Prostatic Hypertrophy; Urological Agents; CYP3A4 Inhibitors; | Treatment for symptomatic relief of benign prostatic hyperplasia . |
96 ,
10
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3cow_ligand_1_0.mol2 | 3cow | 1 | -6.56 | C(C)(C)(C)CO | 6 |
| 4fhi_ligand_1_8.mol2 | 4fhi | 1 | -6.55 | C(O)C(C)(C)C | 6 |
| 4fhh_ligand_1_8.mol2 | 4fhh | 1 | -6.49 | C(O)C(C)(C)C | 6 |
| 2flh_ligand_1_0.mol2 | 2flh | 1 | -6.11 | C(O)C(C)C | 5 |
| 3bex_ligand_1_1.mol2 | 3bex | 1 | -6.04 | C(C)(C)CO | 5 |
| 3bex_ligand_1_0.mol2 | 3bex | 1 | -6.03 | C(C)(C)CO | 5 |
| 3guz_ligand_1_1.mol2 | 3guz | 1 | -6.03 | C(O)C(C)C | 5 |
| 4rce_ligand_2_5.mol2 | 4rce | 1 | -6.01 | OCC(C)(C)C | 6 |
967 ,
97
