Common name
4-methylbenzene-1,2-diol
IUPAC name
4-methylbenzene-1,2-diol
SMILES
Cc1cc(c(cc1)O)O
Common name
4-methylbenzene-1,2-diol
IUPAC name
4-methylbenzene-1,2-diol
SMILES
Cc1cc(c(cc1)O)O
INCHI
InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
FORMULA
C7H8O2
Common name
4-methylbenzene-1,2-diol
IUPAC name
4-methylbenzene-1,2-diol
Molecular weight
124.137
clogP
1.346
clogS
-1.136
Frequency
0.0021
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
40.46
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00068 | Masoprocol |
|
Antineoplastic Agents; Antioxidants; Cyclooxygenase Inhibitors; Lipoxygenase Inhibitors; Antineoplastic and Immunomodulating Agents; | Used for the treatment of actinic keratoses (precancerous skin growths that can become malignant if left untreated). |
| FDBD00079 | Carbidopa |
|
Enzyme Inhibitors; Dopamine Agents; Antiparkinson Agents; Antidyskinetics; Aromatic Amino Acid Decarboxylase Inhibitors; | For treatment of the symptoms of idiopathic Parkinson's disease (paralysis agitans), post-encephalitic parkinsonism. |
| FDBD00702 | Dobutamine |
|
Sympathomimetics; Cardiotonic Agents; Adrenergic beta-1 Receptor Agonists; Cardiovascular System; Cardiac Therapy; Adrenergic and Dopaminergic Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Beta2 Agonists; | For inotropic support in the short- term treatment of patients with cardiac decompensation due to depressed contractility resulting either from organic heart disease or from cardiac surgical procedures. |
| FDBD00822 | Methyldopa |
|
Antihypertensive Agents; Sympatholytics; Adrenergic alpha-2 Receptor Agonists; | For use in the treatment of hypertension. |
| FDBD00842 | Dopamine |
|
Dopamine Agents; Sympathomimetics; Cardiotonic Agents; Cardiovascular System; Cardiac Therapy; Adrenergic and Dopaminergic Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the correction of hemodynamic imbalances present in the shock syndrome due to myocardial infarction, trauma, endotoxic septicemia, open-heart surgery, renal failure, and chronic cardiac decompensation as in congestive failure. |
| FDBD01079 | Levodopa |
|
Dopamine Agents; Antiparkinson Agents; Antidyskinetics; Nervous System; Anti-Parkinson Drugs; Dopaminergic Agents; Dopa and Dopa Derivatives; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of idiopathic Parkinson's disease (Paralysis Agitans), postencephalitic parkinsonism, symptomatic parkinsonism which may follow injury to the nervous system by carbon monoxide intoxication, and manganese intoxication. |
6 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2za0_ligand_frag_2.mol2 | 2za0 | 1 | -7.26 | c1cc(cc(c1O)O)C | 9 |
| 2fm0_ligand_3_43.mol2 | 2fm0 | 1 | -6.85 | Oc1c(O)ccc(C)c1 | 9 |
| 2fm5_ligand_3_43.mol2 | 2fm5 | 1 | -6.80 | c1(c(cc(cc1)C)O)O | 9 |
| 4k7n_ligand_frag_0.mol2 | 4k7n | 1 | -6.72 | c1(cc(c(cc1)O)O)C | 9 |
| 4k7n_ligand.mol2 | 4k7n | 1 | -6.72 | c1(cc(O)c(O)cc1)C | 10 |
| 1qxk_ligand_2_0.mol2 | 1qxk | 1 | -6.64 | Oc1c(cc(cc1)C)O | 9 |
| 4fm7_ligand_2_1.mol2 | 4fm7 | 1 | -6.42 | Cc1ccc(c(c1)O)O | 9 |
| 2b54_ligand_1_3.mol2 | 2b54 | 1 | -6.15 | Cc1cc(c(cc1)O)O | 9 |
| 4ng9_ligand_3_9.mol2 | 4ng9 | 1 | -5.80 | Cc1cc(O)c(O)cc1 | 9 |
340 ,
35
