Common name
1,3-dimethoxybenzene
IUPAC name
1,3-dimethoxybenzene
SMILES
c1cc(cc(c1)OC)OC
Common name
1,3-dimethoxybenzene
IUPAC name
1,3-dimethoxybenzene
SMILES
c1cc(cc(c1)OC)OC
INCHI
InChI=1S/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3
FORMULA
C8H10O2
Common name
1,3-dimethoxybenzene
IUPAC name
1,3-dimethoxybenzene
Molecular weight
138.164
clogP
1.820
clogS
-2.018
Frequency
0.0041
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
18.46
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00094 | Reserpine |
|
Antihypertensive Agents; Adrenergic Uptake Inhibitors; Antipsychotic Agents; Adrenergic Antagonists; Cardiovascular System; Rauwolfia Alkaloids; Antiadrenergic Agents, Centrally Acting; BSEP/ABCB11 Inhibitors; | Foe the treatment of hypertension. |
| 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. |
| FDBD00527 | Trimethobenzamide |
|
Antiemetics; Respiratory System; Aminoalkyl Ethers; Antihistamines for Systemic Use; | For the treatment of postoperative nausea and vomiting and for nausea associated with gastroenteritis. |
| FDBD00939 | Deserpidine |
|
Antihypertensive Agents; Cardiovascular System; Rauwolfia Alkaloids; Antiadrenergic Agents, Centrally Acting; | For the treatment of hypertension. |
| FDBD01004 | Trimetrexate |
|
Antifungal Agents; Antiprotozoal Agents; Folic Acid Antagonists; Antimetabolites, Antineoplastic; Antibiotics; Antiparasitic Products, Insecticides and Repellents; | For use, with concurrent leucovorin administration (leucovorin protection), as an alternative therapy for the treatment of moderate-to-severe . |
| FDBD01025 | Podofilox |
|
Antiviral Agents; Antineoplastic Agents, Phytogenic; Tubulin Modulators; Keratolytic Agents; Antimitotic Agents; Dermatologicals; Cytochrome P-450 CYP2C19 Inducers; CYP3A4 Inhibitors; | For treatment of external genital warts (. |
| FDBD01026 | Rescinnamine |
|
Antihypertensive Agents; Cardiovascular System; Rauwolfia Alkaloids; Antiadrenergic Agents, Centrally Acting; | For the treatment of hypertension. |
| FDBD01253 | Meticillin |
|
Anti-Bacterial Agents; Penicillins; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antibacterials for Intramammary Use; Beta-Lactamase Resistant Penicillins; Beta-Lactam Antibacterials, Penicillins; Beta-Lactam Antibacterials, Penicillins, for Intramammary Use; | Used to treat infections caused by susceptible Gram-positive bacteria, particularly beta-lactamase-producing organisms such as . |
| FDBD01655 | Trimetazidine |
|
Vasodilator Agents; Cardiovascular System; Cardiac Therapy; | Trimetazidine is indicated for use in angina pectoris. |
| FDBD01671 | Trimebutine |
|
Gastrointestinal Agents; Parasympatholytics; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Esters With Tertiary Amino Group; |
12 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4rwj_ligand_2_6.mol2 | 4rwj | 1 | -6.79 | c1cc(cc(c1)OC)OC | 10 |
| 4umt_ligand_3_0.mol2 | 4umt | 1 | -6.74 | O(C)c1cc(OC)ccc1 | 10 |
| 4v05_ligand_2_6.mol2 | 4v05 | 1 | -6.71 | O(C)c1cccc(OC)c1 | 10 |
| 5a4c_ligand_2_45.mol2 | 5a4c | 1 | -6.64 | O(C)c1cc(OC)ccc1 | 10 |
| 4wcu_ligand_3_101.mol2 | 4wcu | 1 | -6.62 | c1(cc(ccc1)OC)OC | 10 |
| 2wxo_ligand_2_0.mol2 | 2wxo | 1 | -6.61 | O(C)c1cccc(OC)c1 | 10 |
| 4qq5_ligand_2_35.mol2 | 4qq5 | 1 | -6.59 | O(C)c1cccc(OC)c1 | 10 |
| 2fgi_ligand_2_77.mol2 | 2fgi | 1 | -6.57 | c1ccc(cc1OC)OC | 10 |
| 4nk9_ligand_2_0.mol2 | 4nk9 | 1 | -6.57 | O(C)c1cccc(OC)c1 | 10 |
| 4qqc_ligand_2_35.mol2 | 4qqc | 1 | -6.47 | O(C)c1cc(ccc1)OC | 10 |
131 ,
14
