Common name
propan-2-ol
IUPAC name
propan-2-ol
SMILES
CC(O)C
Common name
propan-2-ol
IUPAC name
propan-2-ol
SMILES
CC(O)C
INCHI
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
FORMULA
C3H8O
Common name
propan-2-ol
IUPAC name
propan-2-ol
Molecular weight
60.095
clogP
-0.132
clogS
0.047
Frequency
0.0278
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01120 | Bevantolol |
|
Adrenergic beta-1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; Beta Blocking Agents, Selective, and Thiazides; Beta Blocking Agents and Thiazides; | For the treatment of angina pectoris and hypertension. |
| FDBD01122 | Practolol |
|
Adrenergic beta-1 Receptor Antagonists; Anti-Arrhythmia Agents; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; | Used in the emergency treatment of cardiac arrhythmias. |
| FDBD01157 | Penbutolol |
|
Antihypertensive Agents; Adrenergic beta-Antagonists; Cardiovascular System; Beta Blocking Agents; Beta Blocking Agents, Non-Selective; | Penbutolol is indicated in the treatment of mild to moderate arterial hypertension. It may be used alone or in combination with other antihypertensive agents, especially thiazide-type diuretics.Penbutolol is contraindicated in patients with cardiogenic shock, sinus bradycardia, second and third degree atrioventricular conduction block, bronchial asthma, and those with known hypersensitivity. |
| FDBD01233 | Oxprenolol |
|
Anti-Anxiety Agents; Antihypertensive Agents; Sympatholytics; Anti-Arrhythmia Agents; Vasodilator Agents; Adrenergic beta-Antagonists; Cardiovascular System; Beta Blocking Agents; Beta Blocking Agents and Thiazides; Beta Blocking Agents, Non-Selective; Beta Blocking Agents, Non-Selective, and Thiazides; CYP2D6 Inducers; CYP2D6 Inducers (strong); | Used in the treatment of hypertension, angina pectoris, arrhythmias, and anxiety. |
| 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. |
| FDBD01276 | Lincomycin |
|
Anti-Bacterial Agents; Protein Synthesis Inhibitors; Antibiotics; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Macrolides, Lincosamides and Streptogramins; Antibacterials for Intramammary Use; Lincosamides; | Lincomycin is an antibiotic used in the treatment of staphylococcal, streptococcal, and . |
| FDBD01285 | Isopropyl Alcohol |
|
Solvents; | |
| FDBD01331 | Celiprolol |
|
Antihypertensive Agents; Sympathomimetics; Adrenergic beta-1 Receptor Antagonists; Anti-Arrhythmia Agents; Vasodilator Agents; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; CYP3A4 Inhibitors; Beta2 Agonists; | Celiprolol is indicated for the management of mild to moderate hypertension and effort-induced angina pectoris. |
| FDBD01486 | Lanreotide |
|
Antineoplastic Agents; Pituitary and Hypothalamic Hormones and Analogues; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Hypothalamic Hormones; Somatostatin and Analogues; | Lanreotide is a somatostatin analog approved for treatment of neuroendocrine tumours and acromegaly. (2). |
| FDBD01525 | Bupranolol |
|
Antihypertensive Agents; Anti-Arrhythmia Agents; Adrenergic beta-Antagonists; Cardiovascular System; Beta Blocking Agents; Beta Blocking Agents, Non-Selective; | Used to manage hypertension and tachycardia. Also used to treat glaucoma. |
81 ,
9
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3b5r_ligand_frag_2.mol2 | 3b5r | 1 | -5.96 | CC(O)C | 4 |
| 3cd5_ligand_2_21.mol2 | 3cd5 | 1 | -5.96 | C(O)(C)C | 4 |
| 4gj9_ligand_1_1.mol2 | 4gj9 | 1 | -5.96 | CC(O)C | 4 |
| 4j6i_ligand_1_0.mol2 | 4j6i | 1 | -5.95 | CC(C)(O)C | 5 |
| 2e1w_ligand_1_1.mol2 | 2e1w | 1 | -5.94 | C(O)(C)C | 4 |
| 2oi2_ligand_1_5.mol2 | 2oi2 | 1 | -5.94 | CC(O)C | 4 |
| 2q6b_ligand_2_22.mol2 | 2q6b | 1 | -5.94 | CC(O)C | 4 |
| 2q6c_ligand_2_26.mol2 | 2q6c | 1 | -5.94 | C(O)(C)C | 4 |
| 2viy_ligand_2_26.mol2 | 2viy | 1 | -5.94 | CC(O)C | 4 |
503 ,
51
