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 |
|---|---|---|---|---|
| FDBD00272 | Ethopropazine |
|
Muscarinic Antagonists; Histamine Antagonists; Adrenergic Antagonists; Antidyskinetics; Nervous System; Anti-Parkinson Drugs; Anticholinergics; Tertiary Amines; | For use in the treatment of Parkinson's disease and also used to control severe reactions to certain medicines such as reserpine. |
| FDBD00273 | Nimodipine |
|
Antihypertensive Agents; Vasodilator Agents; Calcium Channel Blockers; Cardiovascular System; Dihydropyridine Derivatives; Selective Calcium Channel Blockers With Mainly Vascular Effects; CYP3A4 Inhibitors; | For use as an adjunct to improve neurologic outcome following subarachnoid hemorrhage (SAH) from ruptured intracranial berry aneurysms by reducing the incidence and severity of ischemic deficits. |
| FDBD00275 | Carisoprodol |
|
Muscle Relaxants, Central; Neuromuscular Agents; Muscle Relaxants, Skeletal; Musculo-Skeletal System; Muscle Relaxants, Centrally Acting Agents; Muscle Relaxants; Carbamic Acid Esters; Cytochrome P-450 CYP2C19 Inducers; | For the relief of discomfort associated with acute, painful, musculoskeletal conditions. |
| FDBD00281 | Nisoldipine |
|
Antihypertensive Agents; Vasodilator Agents; Calcium Channel Blockers; Cardiovascular System; Dihydropyridine Derivatives; Selective Calcium Channel Blockers With Mainly Vascular Effects; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment of hypertension. It may be used alone or in combination with other antihypertensive agents. |
| FDBD00285 | Dexbrompheniramine |
|
Histamine H1 Antagonists; Histamine Antagonists; Respiratory System; Antihistamines for Systemic Use; Substituted Alkylamines; | For treatment and relief of symptoms of allergies, hay fever, and colds. |
| FDBD00289 | Mupirocin |
|
Anti-Bacterial Agents; Protein Synthesis Inhibitors; Antibiotics; Respiratory System; Dermatologicals; Nasal Preparations; Antibiotics for Topical Use; | For the treatment of . |
| FDBD00292 | Pramipexole |
|
Antioxidants; Antiparkinson Agents; Dopamine Agonists; Antidyskinetics; Nervous System; Anti-Parkinson Drugs; Dopaminergic Agents; | For the treatment of signs and symptoms of idiopathic Parkinson's disease. |
| FDBD00295 | Secobarbital |
|
Hypnotics and Sedatives; Adjuvants, Anesthesia; GABA Modulators; Barbiturates; Adjuvants; Nervous System; Psycholeptics; Barbiturates, Plain; Products for Animal Euthanasia; 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; | For the Short-term treatment of intractable insomnia for patients habituated to barbiturates. |
| FDBD00296 | Miglustat |
|
Enzyme Inhibitors; Alimentary Tract and Metabolism; Various Alimentary Tract and Metabolism Products; | For the treatment of adult patients with mild to moderate type 1 (nonneuropathic) Gaucher's disease for whom enzyme replacement therapy is not a therapeutic option (e.g. due to constraints such as allergy, hypersensitivity, or poor venous access). Now approved in some countries for the treatment of progressive neurological symptoms in adult and pediatric patients with Niemann-Pick disease type C (NP-C). |
| FDBD00297 | Promazine |
|
Antipsychotic Agents; Adrenergic alpha-1 Receptor Antagonists; Antiemetics; Dopamine Antagonists; Phenothiazines; Nervous System; Psycholeptics; Phenothiazines With Aliphatic Side-Chain; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP3A4 Inhibitors; | Used as an adjunct for short term treatment of moderate and severe psychomotor agitation. Also used to treat agitation or restlessness in the elderly. |
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
