Common name
1-ethoxy-2-methoxy-benzene
IUPAC name
1-ethoxy-2-methoxy-benzene
SMILES
C(C)Oc1c(cccc1)OC
Common name
1-ethoxy-2-methoxy-benzene
IUPAC name
1-ethoxy-2-methoxy-benzene
SMILES
C(C)Oc1c(cccc1)OC
INCHI
InChI=1S/C9H12O2/c1-3-11-9-7-5-4-6-8(9)10-2/h4-7H,3H2,1-2H3
FORMULA
C9H12O2
Common name
1-ethoxy-2-methoxy-benzene
IUPAC name
1-ethoxy-2-methoxy-benzene
Molecular weight
152.190
clogP
2.154
clogS
-2.435
Frequency
0.0027
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
18.46
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00122 | Reboxetine |
|
Nervous System; Antidepressants; Psychoanaleptics; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of clinical depression. |
| FDBD00570 | Tamsulosin |
|
Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Genito Urinary System and Sex Hormones; Drugs Used in Benign Prostatic Hypertrophy; Urological Agents; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | Used in the treatment of signs and symptoms of benign prostatic hyperplasia (reduction in urinary obstruction and relief of associated manifestations such as hesitancy, terminal dribbling of urine, interrupted or weak stream..etc.). |
| FDBD00984 | Carvedilol |
|
Antihypertensive Agents; Vasodilator Agents; Adrenergic alpha-1 Receptor Antagonists; Adrenergic beta-Antagonists; Cardiovascular System; Beta Blocking Agents; Alpha and Beta Blocking Agents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of mild or moderate (NYHA class II or III) heart failure of ischemic or cardiomyopathic origin. |
| FDBD01352 | Iloperidone |
|
Antipsychotic Agents; Adrenergic alpha-1 Receptor Antagonists; Nervous System; Psycholeptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | Treatment of acute schizophrenia. |
| FDBD01371 | Apremilast |
|
Anti-Inflammatory Agents, Non-Steroidal; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Selective Immunosuppressants; CYP3A4 Inhibitors; | Investigated for use/treatment in psoriasis and psoriatic disorders. |
| FDBD01385 | Silodosin |
|
Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Genito Urinary System and Sex Hormones; Drugs Used in Benign Prostatic Hypertrophy; Urological Agents; CYP3A4 Inhibitors; | Treatment for symptomatic relief of benign prostatic hyperplasia . |
| FDBD01633 | Aliskiren |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; CYP3A4 Inhibitors; | For the treatment of hypertension, to lower blood pressure. |
| FDBD01732 | Viloxazine |
|
Antidepressive Agents, Second-Generation; Adrenergic Uptake Inhibitors; Nervous System; Antidepressants; Psychoanaleptics; | For the treatment of clinical depression. |
8 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4gj7_ligand_4_444.mol2 | 4gj7 | 1 | -6.46 | c1cc(c(cc1)OC)OCC | 11 |
| 4rz1_ligand_4_385.mol2 | 4rz1 | 1 | -6.44 | O(C)c1ccccc1OCC | 11 |
| 4ryc_ligand_4_178.mol2 | 4ryc | 1 | -6.42 | C(Oc1c(OC)cccc1)C | 11 |
| 4ryg_ligand_4_666.mol2 | 4ryg | 1 | -6.42 | C(Oc1c(cccc1)OC)C | 11 |
| 2v0z_ligand_4_1497.mol2 | 2v0z | 1 | -6.41 | O(C)c1c(OCC)cccc1 | 11 |
| 4q1f_ligand_4_56.mol2 | 4q1f | 1 | -6.39 | c1(ccccc1OC)OCC | 11 |
| 2v10_ligand_4_819.mol2 | 2v10 | 1 | -6.35 | c1c(c(ccc1)OC)OCC | 11 |
| 4kcg_ligand_4_120.mol2 | 4kcg | 1 | -6.35 | O(C)c1c(cccc1)OCC | 11 |
| 1qiw_ligand_5_6139.mol2 | 1qiw | 1 | -6.10 | O(CC)c1ccccc1OC | 11 |
| 1qiw_ligand_5_6133.mol2 | 1qiw | 1 | -6.01 | CCOc1ccccc1OC | 11 |
176 ,
18
