Common name
2-ethylpyridine
IUPAC name
2-ethylpyridine
SMILES
n1c(cccc1)CC
Common name
2-ethylpyridine
IUPAC name
2-ethylpyridine
SMILES
n1c(cccc1)CC
INCHI
InChI=1S/C7H9N/c1-2-7-5-3-4-6-8-7/h3-6H,2H2,1H3
FORMULA
C7H9N
Common name
2-ethylpyridine
IUPAC name
2-ethylpyridine
Molecular weight
107.153
clogP
2.179
clogS
-2.143
Frequency
0.0034
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
12.89
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00167 | Disopyramide |
|
Anti-Arrhythmia Agents; Voltage-Gated Sodium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; Antiarrhythmics, Class Ia; CYP3A4 Inhibitors; | For the treatment of documented ventricular arrhythmias, such as sustained ventricular tachycardia, ventricular pre-excitation and cardiac dysrhythmias. It is a Class Ia antiarrhythmic drug. |
| FDBD00249 | Doxylamine |
|
Histamine H1 Antagonists; Antiemetics; Respiratory System; Aminoalkyl Ethers; Antihistamines for Systemic Use; | Used alone as a short-term sleep aid, in combination with other drugs as a night-time cold and allergy relief drug. Also used in combination with Vitamin B6 (pyridoxine) to prevent morning sickness in pregnant women. |
| 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. |
| FDBD00474 | Ethionamide |
|
Antitubercular Agents; Fatty Acid Synthesis Inhibitors; Antimycobacterials; Antiinfectives for Systemic Use; Drugs for Treatment of Tuberculosis; Thiocarbamide Derivatives; | For use in the treatment of pulmonary and extrapulmonary tuberculosis when other antitubercular drugs have failed. |
| FDBD00697 | Brompheniramine |
|
Anti-Allergic Agents; Histamine H1 Antagonists; Respiratory System; Antihistamines for Systemic Use; Substituted Alkylamines; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 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; | For the treatment of the symptoms of the common cold and allergic rhinitis, such as runny nose, itchy eyes, watery eyes, and sneezing. |
| FDBD00963 | Chlorphenamine |
|
Anti-Allergic Agents; Antipruritics; Histamine H1 Antagonists; Histamine Antagonists; Respiratory System; Antihistamines for Systemic Use; Substituted Alkylamines; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of rhinitis, urticaria, allergy, common cold, asthma and hay fever. |
| FDBD00981 | Pioglitazone |
|
Hypoglycemic Agents; Drugs Used in Diabetes; Alimentary Tract and Metabolism; Thiazolidinediones; Blood Glucose Lowering Drugs, Excl. Insulins; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | Treatment of Type II diabetes mellitus. |
| FDBD01269 | Pheniramine |
|
Anti-Allergic Agents; Antipruritics; Histamine H1 Antagonists; Respiratory System; Dermatologicals; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Antihistamines for Topical Use; Antihistamines for Systemic Use; Substituted Alkylamines; | Pheniramine is an antihistamine used to treat allergic conditions such as hay fever or urticaria. |
| FDBD01438 | Betahistine |
|
Vasodilator Agents; Histamine Agonists; Antiemetics; Nervous System; Antivertigo Preparations; | For the reduction of episodes of vertigo association with Ménière's disease. |
| FDBD01519 | Dimetindene |
|
Anti-Allergic Agents; Antipruritics; Histamine H1 Antagonists; Cholinergic Antagonists; Histamine Antagonists; Respiratory System; Dermatologicals; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Antihistamines for Topical Use; Antihistamines for Systemic Use; Substituted Alkylamines; | Indicated as symptomatic treatment of allergic reactions: urticaria, allergies of the upper respiratory tract such as hey fever and perennial rhinitis, food and drug allergies; pruritus of various origins, except pruritus due to cholestasis; insect bites. Dimethindene is also indicated for pruritus in eruptive skin diseases such as chicken-pox. Dimethindene can also be used as an adjuvant in eczema and other pruriginous dermatoses of allergic origin. |
10 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4jps_ligand_1_0.mol2 | 4jps | 1 | -6.43 | C(C)(C)c1ncccc1 | 9 |
| 4ya8_ligand_1_13.mol2 | 4ya8 | 1 | -6.40 | c1(ncccc1)C(C)C | 9 |
| 3frz_ligand_1_6.mol2 | 3frz | 1 | -6.19 | C(C)c1ncccc1 | 8 |
| 3in4_ligand_1_0.mol2 | 3in4 | 1 | -6.16 | C(C)c1ncccc1 | 8 |
| 2bxt_ligand_2_27.mol2 | 2bxt | 1 | -6.14 | c1c(nccc1)CC | 8 |
| 5c2e_ligand_2_15.mol2 | 5c2e | 1 | -6.13 | CCc1ncccc1 | 8 |
| 2bvx_ligand_2_27.mol2 | 2bvx | 1 | -6.01 | c1c(nccc1)CC | 8 |
| 3in4_ligand_1_2.mol2 | 3in4 | 1 | -5.98 | n1ccccc1CC | 8 |
104 ,
11
