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 |
|---|---|---|---|---|
| FDBD00220 | Atenolol |
|
Antihypertensive Agents; Adrenergic beta-1 Receptor Antagonists; Sympatholytics; Anti-Arrhythmia Agents; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; Beta Blocking Agents, Selective, and Thiazides; Beta Blocking Agents and Thiazides; | For the management of hypertention and long-term management of patients with angina pectoris. |
| FDBD00255 | Timolol |
|
Antihypertensive Agents; Anti-Arrhythmia Agents; Adrenergic beta-Antagonists; Ophthalmologicals; Sensory Organs; Cardiovascular System; Beta Blocking Agents; Antiglaucoma Preparations and Miotics; Beta Blocking Agents and Thiazides; Beta Blocking Agents, Non-Selective; Beta Blocking Agents, Non-Selective, and Thiazides; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | In its oral form it is used to treat high blood pressure and prevent heart attacks, and occasionally to prevent migraine headaches. In its opthalmic form it is used to treat open-angle and occasionally secondary glaucoma. |
| FDBD00256 | Treprostinil |
|
Antithrombins; Anticoagulants; 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 use as a continuous subcutaneous infusion or intravenous infusion (for those not able to tolerate a subcutaneous infusion) for the treatment of pulmonary arterial hypertension in patients with NYHA Class II-IV symptoms to diminish symptoms associated with exercise. |
| FDBD00300 | Methocarbamol |
|
Muscle Relaxants, Central; Musculo-Skeletal System; Muscle Relaxants, Centrally Acting Agents; Muscle Relaxants; Carbamic Acid Esters; | For use as an adjunct to rest, physical therapy, and other measures for the relief of discomforts associated with acute, painful musculoskeletal conditions. |
| FDBD00306 | Carboprost Tromethamine |
|
Oxytocics; Abortifacient Agents, Nonsteroidal; Prostaglandins; Genito Urinary System and Sex Hormones; Uterotonics; Tromethamine; | For aborting pregnancy between the 13th and 20th weeks of gestation as calculated from the first day of the last normal menstrual period and in the following conditions related to second trimester abortion: 1. Failure of expulsion of the fetus during the course of treatment by another method; 2. Premature rupture of membranes in intrauterine methods with loss of drug and insufficient or absent uterine activity; 3. Requirement of a repeat intrauterine instillation of drug for expulsion of the fetus; 4. Inadvertent or spontaneous rupture of membranes in the presence of a previable fetus and absence of adequate activity for expulsion. Also for the treatment of postpartum hemorrhage due to uterine atony which has not responded to conventional methods of management. |
| FDBD00376 | Ritonavir |
|
Protease Inhibitors; 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 CYP2C8 Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; Combined Inducers of CYP3A4 and P-glycoprotein; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Indicated in combination with other antiretroviral agents for the treatment of HIV-infection. |
| FDBD00391 | Carteolol |
|
Antihypertensive Agents; Sympatholytics; Anti-Arrhythmia Agents; Adrenergic beta-Antagonists; Ophthalmologicals; Sensory Organs; Cardiovascular System; Beta Blocking Agents; Antiglaucoma Preparations and Miotics; Beta Blocking Agents, Non-Selective; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of intraocular hypertension and chronic open-angle glaucoma. |
| FDBD00438 | Propranolol |
|
Antihypertensive Agents; 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; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the prophylaxis of migraine. |
| FDBD00462 | Gadoteridol |
|
Contrast Media; Paramagnetic Contrast Media; Magnetic Resonance Imaging Contrast Media; | Gadoteridol is an MRI contrast agent used for contrast enhancement of the brain, spine and surrounding tissues resulting in improved visualization (compared with unenhanced MRI) of lesions with abnormal vascularity or those thought to cause a disruption of the normal blood brain barrier. Gadoteridol can also be used for whole body contrast enhanced MRI including the head, neck, liver, breast, musculoskeletal system and soft tissue pathologies. |
| FDBD00477 | Bisoprolol |
|
Antihypertensive Agents; Adrenergic beta-1 Receptor Antagonists; Sympatholytics; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Beta Blocking Agents, Selective; Beta Blocking Agents; Beta Blocking Agents, Selective, and Thiazides; Beta Blocking Agents and Thiazides; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For management of heart failure, angina pectoris, and mild to moderate hypertension and for secondary prevention of myocardial infarction (MI). |
81 ,
9
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1gt3_ligand_frag_4.mol2 | 1gt3 | 1 | -6.36 | CC(O)(C)C | 5 |
| 1rjk_ligand_frag_4.mol2 | 1rjk | 1 | -6.36 | CC(O)(C)C | 5 |
| 2o4j_ligand_1_0.mol2 | 2o4j | 1 | -6.35 | CC(O)(C)C | 5 |
| 2o4r_ligand_frag_3.mol2 | 2o4r | 1 | -6.35 | CC(O)(C)C | 5 |
| 1ie9_ligand_frag_4.mol2 | 1ie9 | 1 | -6.29 | CC(O)(C)C | 5 |
| 1db1_ligand_frag_4.mol2 | 1db1 | 1 | -6.27 | CC(O)(C)C | 5 |
503 ,
51
