Common name
2-propylpyridine
IUPAC name
2-propylpyridine
SMILES
n1c(cccc1)CCC
Common name
2-propylpyridine
IUPAC name
2-propylpyridine
SMILES
n1c(cccc1)CCC
INCHI
InChI=1S/C8H11N/c1-2-5-8-6-3-4-7-9-8/h3-4,6-7H,2,5H2,1H3
FORMULA
C8H11N
Common name
2-propylpyridine
IUPAC name
2-propylpyridine
Molecular weight
121.180
clogP
2.468
clogS
-2.568
Frequency
0.0017
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
12.89
Number of Rings
1
Rotatable Bond
2
| 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. |
| 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. |
| 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. |
| 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. |
5 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4qo4_ligand_2_11.mol2 | 4qo4 | 1 | -6.06 | C(C)Cc1ccccn1 | 9 |
| 4qo4_ligand_1_6.mol2 | 4qo4 | 0.977273 | -5.88 | c1(ccccn1)C1CC1 | 9 |
| 4qo4_ligand_2_17.mol2 | 4qo4 | 0.895833 | -6.14 | c1(cccc(n1)C)C1CC1 | 10 |
| 4jps_ligand_1_0.mol2 | 4jps | 0.837209 | -6.43 | C(C)(C)c1ncccc1 | 9 |
| 4ya8_ligand_1_13.mol2 | 4ya8 | 0.837209 | -6.40 | c1(ncccc1)C(C)C | 9 |
| 3frz_ligand_1_6.mol2 | 3frz | 0.837209 | -6.19 | C(C)c1ncccc1 | 8 |
111 ,
12
