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 |
|---|---|---|---|---|
| FDBD00989 | Micafungin |
|
Antifungal Agents; Antiinfectives for Systemic Use; Antimycotics for Systemic Use; | For use in the treatment of candidemia, acute disseminated candidiasis, and certain other invasive . |
| FDBD01007 | Dinoprost Tromethamine |
|
Oxytocics; Abortifacient Agents, Nonsteroidal; Angiography; Stimulants, Uterine; Tromethamine; | Used for aborting second-trimester pregnancy (between the twelfth to eighteenth week of gestation) and in incomplete abortion or for therapeutic abortion in cases of intrauterine fetal death and congenital abnormalities incompatible with life. Also used at low-doses for medically indicated induction of labor at term. Also injected intra-arterially for use as a vasodilator to assist in angiography. |
| FDBD01012 | Cilostazol |
|
Fibrinolytic Agents; Platelet Aggregation Inhibitors; Bronchodilator Agents; Phosphodiesterase 3 Inhibitors; Vasodilator Agents; Neuroprotective Agents; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the reduction of symptoms of intermittent claudication (pain in the legs that occurs with walking and disappears with rest). |
| FDBD01064 | Halofantrine |
|
Antimalarials; Antiprotozoal Agents; Antiparasitic Products, Insecticides and Repellents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For treatment of Severe malaria. |
| FDBD01075 | Diphenidol |
|
Antiemetics; | For use in the prevention and symptomatic treatment of peripheral (labyrinthine) vertigo and associated nausea and vomiting that occur in such conditions as Meniere's disease and surgery of the middle and inner ear. Also for the control of nausea and vomiting associated with postoperative states, malignant neoplasms, labyrinthine disturbances, antineoplastic agent therapy, radiation sickness, and infectious diseases. |
| FDBD01076 | Saquinavir |
|
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 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment of HIV-1 with advanced immunodeficiency together with antiretroviral nucleoside analogues. |
| FDBD01082 | Aripiprazole |
|
Antipsychotic Agents; Adrenergic alpha-1 Receptor Antagonists; Nervous System; Psycholeptics; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Antiemetics Antagonists; | For the treatment of schizophrenia and related psychotic disorders. |
| FDBD01084 | Epoprostenol |
|
Platelet Aggregation Inhibitors; Antihypertensive Agents; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; | For the long-term intravenous treatment of primary pulmonary hypertension and pulmonary hypertension associated with the scleroderma spectrum of disease in NYHA Class III and Class IV patients who do not respond adequately to conventional therapy. |
| FDBD01085 | Gemfibrozil |
|
Hypolipidemic Agents; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; Fibrates; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; | For treatment of adult patients with very high elevations of serum triglyceride levels (types IV and V hyperlipidemia) who are at risk of developing pancreatitis (inflammation of the pancreas) and who do not respond adequately to a strict diet. |
| FDBD01088 | Bepridil |
|
Antihypertensive Agents; Anti-Arrhythmia Agents; Vasodilator Agents; Calcium Channel Blockers; Cardiovascular System; Phenylalkylamine Derivatives; Non-Selective Calcium Channel Blockers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of hypertension, and chronic stable angina (classic effort-associated angina). |
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
