Common name
1-methoxy-3-methyl-benzene
IUPAC name
1-methoxy-3-methyl-benzene
SMILES
Cc1cccc(c1)OC
Common name
1-methoxy-3-methyl-benzene
IUPAC name
1-methoxy-3-methyl-benzene
SMILES
Cc1cccc(c1)OC
INCHI
InChI=1S/C8H10O/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3
FORMULA
C8H10O
Common name
1-methoxy-3-methyl-benzene
IUPAC name
1-methoxy-3-methyl-benzene
Molecular weight
122.164
clogP
2.311
clogS
-2.260
Frequency
0.0038
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
9.23
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00316 | Trimethoprim |
|
Antimalarials; Folic Acid Antagonists; Anti-Infective Agents; Anti-Infective Agents, Urinary; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antibacterials for Intramammary Use; Sulfonamides and Trimethoprim; Sulfonamides and Trimethoprim Incl. Derivatives; Trimethoprim and Derivatives; Sulfonamides and Trimethoprim for Intramammary Use; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; | For the treatment of urinary tract infections, uncomplicated pyelonephritis (with sulfamethoxazole) and mild acute prostatitis. May be used as pericoital (with sulfamethoxazole) or continuous prophylaxis in females with recurrent cystitis. May be used as an alternative to treat asymptomatic bacteriuria during pregnancy (only before the last 6 weeks of pregnancy). Other uses include: alternative agent in respiratory tract infections (otitis, sinusitus, bronchitis and pneumonia), treatment of Pneumocystis jirovecii pneumonia (acute or prophylaxis), Nocardia infections, and traveller's diarrhea. |
| FDBD00526 | Verapamil |
|
Anti-Arrhythmia Agents; Vasodilator Agents; Calcium Channel Blockers; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors and Calcium Channel Blockers; Selective Calcium Channel Blockers With Direct Cardiac Effects; Phenylalkylamine Derivatives; 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 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); CYP3A4 Inhibitors; BSEP/ABCB11 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment of hypertension, angina, and cluster headache prophylaxis. |
| FDBD00962 | Papaverine |
|
Phosphodiesterase Inhibitors; Vasodilator Agents; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Drugs Used in Erectile Dysfunction; Drugs for Functional Gastrointestinal Disorders; Papaverine and Derivatives; Urological Agents; | For the treatment of impotence and vasospasms. |
| FDBD01120 | Bevantolol |
|
Adrenergic beta-1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; Beta Blocking Agents, Selective, and Thiazides; Beta Blocking Agents and Thiazides; | For the treatment of angina pectoris and hypertension. |
| FDBD01521 | Tymazoline |
|
Respiratory System; Nasal Preparations; Sympathomimetics, Plain; | For the treatment of Inflammation of the lining of the nose and paranasal sinuses and allergic inflammation of nasopharyngeal. |
| FDBD01523 | Roxatidine acetate |
|
Anti-Ulcer Agents; Alimentary Tract and Metabolism; Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Drugs for Acid Related Disorders; H2 Antagonists; | For the treatment of disorders of the upper gastro-intestinal region that are due to an excess of hydrochloric acid in the gastric juice, i.e. duodenal ulcers, benign gastric ulcers. Also for prophylaxis of recurrent gastric and duodenal ulcers. |
| FDBD01633 | Aliskiren |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; CYP3A4 Inhibitors; | For the treatment of hypertension, to lower blood pressure. |
| FDBD01655 | Trimetazidine |
|
Vasodilator Agents; Cardiovascular System; Cardiac Therapy; | Trimetazidine is indicated for use in angina pectoris. |
| FDBD02911 | mandipropamid |
|
Fungicide | Fungicide |
| FDBD03005 | metrafenone |
|
Fungicide | Fungicide |
11 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4rwj_ligand_2_10.mol2 | 4rwj | 1 | -7.12 | c1(cccc(c1)OC)C | 9 |
| 3c4f_ligand_2_0.mol2 | 3c4f | 1 | -7.07 | COc1cccc(c1)C | 9 |
| 4v05_ligand_2_14.mol2 | 4v05 | 1 | -7.04 | O(C)c1cc(ccc1)C | 9 |
| 4v05_ligand_2_10.mol2 | 4v05 | 1 | -6.98 | O(C)c1cccc(c1)C | 9 |
| 4rwj_ligand_2_14.mol2 | 4rwj | 1 | -6.97 | c1(cc(ccc1)OC)C | 9 |
| 4h1j_ligand_1_1.mol2 | 4h1j | 1 | -6.91 | O(C)c1cccc(c1)C | 9 |
120 ,
13
