Common name
propane
IUPAC name
propane
SMILES
C(C)C
Common name
propane
IUPAC name
propane
SMILES
C(C)C
INCHI
InChI=1S/C3H8/c1-3-2/h3H2,1-2H3
FORMULA
C3H8
Common name
propane
IUPAC name
propane
Molecular weight
44.096
clogP
0.450
clogS
-0.824
Frequency
0.2412
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00751 | Oxybuprocaine |
|
Anesthetics, Local; Ophthalmologicals; Sensory Organs; Dermatologicals; Local Anesthetics; Anesthetics for Topical Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; | Used to temporarily numb the front surface of the eye so that the eye pressure can be measured or a foreign body removed. |
| FDBD00753 | Benzylpenicilloyl Polylysine |
|
Acetamides; | For use as a adjunct in assessing the risk of administering penicillin (benzylpenicillin or penicillin G). |
| FDBD00762 | Bimatoprost |
|
Antihypertensive Agents; Anti-glaucoma Agents; Ophthalmologicals; Sensory Organs; Antiglaucoma Preparations and Miotics; Prostaglandin Analogues; | For the reduction of elevated intraocular pressure in patients with open angle glaucoma or ocular hypertension who are intolerant of other intraocular pressure lowering medications or insufficiently responsive (failed to achieve target IOP determined after multiple measurements over time) to another intraocular pressure lowering medication. |
| FDBD00769 | Repaglinide |
|
Hypoglycemic Agents; Antidiabetic Agents; Meglitinides; Drugs Used in Diabetes; Alimentary Tract and Metabolism; Blood Glucose Lowering Drugs, Excl. Insulins; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; | As an adjunct to diet and exercise to improve glycemic control in adults with type 2 diabetes mellitus. |
| FDBD00774 | Dinoprostone |
|
For the termination of pregnancy during the second trimester (from the 12th through the 20th gestational week as calculated from the first day of the last normal menstrual period), as well as for evacuation of the uterine contents in the management of missed abortion or intrauterine fetal death up to 28 weeks of gestational age as calculated from the first day of the last normal menstrual period. Also used in the management of nonmetastatic gestational trophoblastic disease (benign hydatidiform mole). Other indications include improving the cervical inducibility (cervical ; | |
| FDBD00782 | Phenoxybenzamine |
|
Antihypertensive Agents; Vasodilator Agents; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Cardiovascular System; Peripheral Vasodilators; CYP3A4 Inhibitors; | For the treatment of phaeochromocytoma (malignant), benign prostatic hypertrophy and malignant essential hypertension. |
| FDBD00785 | Misoprostol |
|
Indicated for the treatment of ulceration (duodenal, gastric and NSAID induced) and prophylaxis for NSAID induced ulceration. | |
| FDBD00787 | Tipranavir |
|
Anti-HIV Agents; Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For combination antiretroviral treatment of HIV-1 infected adult patients with evidence of viral replication, who are highly treatment-experienced or have HIV-1 strains resistant to multiple protease inhibitors. |
| FDBD00789 | Maprotiline |
|
Antidepressive Agents, Second-Generation; Adrenergic Uptake Inhibitors; Antidepressive Agents; Nervous System; Antidepressants; Psychoanaleptics; Non-Selective Monoamine Reuptake Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For treatment of depression, including the depressed phase of bipolar depression, psychotic depression, and involutional melancholia, and may also be helpful in treating certain patients suffering severe depressive neurosis. |
| FDBD00793 | Salmeterol |
|
Sympathomimetics; Adrenergic beta-2 Receptor Agonists; Bronchodilator Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Selective Beta-2-Adrenoreceptor Agonists; Adrenergics, Inhalants; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; Beta2 Agonists; | For the treatment of asthma and chronic obstructive pulmonary disease (COPD). |
702 ,
71
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3f_ligand_1_3.mol2 | 4m3f | 1 | -6.56 | CC(C)C | 4 |
| 3cvk_ligand_1_3.mol2 | 3cvk | 1 | -6.55 | CC(C)(C)C | 5 |
| 1usk_ligand_1_1.mol2 | 1usk | 1 | -6.54 | CC(C)C | 4 |
| 4hmk_ligand_1_1.mol2 | 4hmk | 1 | -6.53 | CC(C)C | 4 |
| 3f3e_ligand_1_1.mol2 | 3f3e | 1 | -6.51 | C(C)(C)C | 4 |
| 3gjd_ligand_1_1.mol2 | 3gjd | 1 | -6.50 | CC(C)C | 4 |
| 4hod_ligand_1_1.mol2 | 4hod | 1 | -6.48 | CC(C)C | 4 |
| 1yt7_ligand_1_7.mol2 | 1yt7 | 1 | -6.46 | CC(C)(C)C | 5 |
6909 ,
691
