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 |
|---|---|---|---|---|
| FDBD00977 | Bicalutamide |
|
Antineoplastic and Immunomodulating Agents; Endocrine Therapy; Hormone Antagonists and Related Agents; Anti-Androgens; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For treatment (together with surgery or LHRH analogue) of advanced prostatic cancer. |
| FDBD00984 | Carvedilol |
|
Antihypertensive Agents; Vasodilator Agents; Adrenergic alpha-1 Receptor Antagonists; Adrenergic beta-Antagonists; Cardiovascular System; Beta Blocking Agents; Alpha and Beta Blocking Agents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of mild or moderate (NYHA class II or III) heart failure of ischemic or cardiomyopathic origin. |
| FDBD01028 | Propafenone |
|
Anti-Arrhythmia Agents; Voltage-Gated Sodium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; Antiarrhythmics, Class Ic; 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 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | Used to prolong the time to recurrence of paroxysmal atrial fibrillation/flutter (PAF) associated with disabling symptoms in patients without structural heart disease. Also used for the treatment of life-threatening documented ventricular arrhythmias, such as sustained ventricular tachycardia. |
| FDBD01039 | Acebutolol |
|
Antihypertensive Agents; Sympathomimetics; Adrenergic beta-1 Receptor Antagonists; Anti-Arrhythmia Agents; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; Beta Blocking Agents, Selective, and Thiazides; Beta Blocking Agents and Thiazides; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the management of hypertension and ventricular premature beats in adults. |
| FDBD01049 | Nadolol |
|
Antihypertensive Agents; Sympatholytics; Anti-Arrhythmia 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; | Used in cardiovascular disease to treat arrhythmias, angina pectoris, and hypertension. |
| FDBD01056 | Levobunolol |
|
Sympatholytics; Adrenergic beta-Antagonists; EENT Preparations; Ophthalmologicals; Sensory Organs; Beta Blocking Agents; Antiglaucoma Preparations and Miotics; | For lowering intraocular pressure (IOP) and may be used in patients with chronic open-angle glaucoma or ocular hypertension. |
| FDBD01060 | Metipranolol |
|
Antihypertensive Agents; Sympatholytics; 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, and Thiazides; | Indicated in the treatment of elevated intraocular pressure in patients with ocular hypertension or open angle glaucoma. |
| 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. |
| FDBD01105 | Posaconazole |
|
Antifungal Agents; 14-alpha Demethylase Inhibitors; Trypanocidal Agents; Antiinfectives for Systemic Use; Triazole Derivatives; Antimycotics for Systemic Use; CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For prophylaxis of invasive . |
| 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. |
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
