Common name
1-chloro-2-methyl-benzene
IUPAC name
1-chloro-2-methyl-benzene
SMILES
Clc1c(cccc1)C
Common name
1-chloro-2-methyl-benzene
IUPAC name
1-chloro-2-methyl-benzene
SMILES
Clc1c(cccc1)C
INCHI
InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
FORMULA
C7H7Cl
Common name
1-chloro-2-methyl-benzene
IUPAC name
1-chloro-2-methyl-benzene
Molecular weight
126.583
clogP
2.993
clogS
-2.753
Frequency
0.0062
HBond Acceptor
0
HBond Donor
0
Total Polar
Surface Area
0
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00096 | Ticlopidine |
|
Used in patients, who have had a stroke or stroke precursors and who cannot take aspirin or aspirin has not worked, to try to prevent another thrombotic stroke. | |
| FDBD00145 | Clotrimazole |
|
Antifungal Agents; 14-alpha Demethylase Inhibitors; Anti-Infective Agents, Local; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Antiinfectives for Systemic Use; Stomatological Preparations; Dermatologicals; Gynecological Antiinfectives and Antiseptics; Imidazole and Triazole Derivatives; Antifungals for Topical Use; Antifungals for Dermatological Use; Antimycotics for Systemic Use; Imidazole Derivatives; Antiinfectives and Antiseptics for Local Oral Treatment; 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; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; Combined Inducers of CYP3A4 and P-glycoprotein; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the local treatment of oropharyngeal candidiasis and vaginal yeast infections, also used in fungal infections of the skin such as ringworm, athlete's foot, and jock itch. |
| FDBD00513 | Mitotane |
|
Antineoplastic Agents; Antineoplastic Agents, Hormonal; Antineoplastic and Immunomodulating Agents; | For treatment of inoperable adrenocortical tumours; Cushing's syndrome. |
| FDBD00622 | Clopidogrel |
|
Platelet Aggregation Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Purinergic P2Y Receptor Antagonists; 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); CYP3A4 Inhibitors; | For the reduction of atherosclerotic events (myocardial infarction, stroke, and vascular death) in patients with atherosclerosis documented by recent stroke, recent myocardial infarction, or established peripheral arterial disease. |
| FDBD00971 | Ambenonium |
|
Anti-Arrhythmia Agents; Cholinesterase Inhibitors; Parasympathomimetics; Antimyasthenic Agents; Nervous System; Anticholinesterases; | Ambenonium is used to treat muscle weakness due to muscle disease (myasthenia gravis). |
| FDBD01407 | Dapagliflozin |
|
sodium-glucose cotransporter 2 inhibitor ; Drugs Used in Diabetes; Alimentary Tract and Metabolism; Blood Glucose Lowering Drugs, Excl. Insulins; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | Dapagliflozin is indicated for adjunct management of glycemic control in patients with type 2 diabetes mellitus, in combination with diet and exercise. |
| FDBD01598 | Fominoben |
|
; | |
| FDBD01639 | Empagliflozin |
|
Hypoglycemic Agents; Drugs Used in Diabetes; Alimentary Tract and Metabolism; Blood Glucose Lowering Drugs, Excl. Insulins; | Empagliflozin is indicated as an adjunct to diet and exercise to improve glycemic control in adult patients with type 2 diabetes. |
| FDBD01746 | Tolfenamic Acid |
|
Musculo-Skeletal System; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Fenamates; | For the treatment of migraine. |
| FDBD01747 | Clonixin |
|
Anti-Inflammatory Agents, Non-Steroidal; | Used primarily in the treatment of chronic arthritic conditions and certain soft tissue disorders associated with pain and inflammation. |
18 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ms7_ligand_1_4.mol2 | 3ms7 | 1 | -7.14 | Cc1c(Cl)cccc1 | 8 |
| 1w83_ligand_1_0.mol2 | 1w83 | 1 | -7.10 | Cc1c(Cl)cccc1 | 8 |
| 3jzf_ligand_1_5.mol2 | 3jzf | 1 | -6.98 | c1(ccccc1Cl)C | 8 |
| 1wbn_ligand_1_2.mol2 | 1wbn | 1 | -6.96 | c1ccc(Cl)c(c1)C | 8 |
| 3jzi_ligand_1_5.mol2 | 3jzi | 1 | -6.92 | Cc1ccccc1Cl | 8 |
| 2p4y_ligand_1_2.mol2 | 2p4y | 1 | -6.89 | c1(ccccc1Cl)C | 8 |
| 3ipq_ligand_1_8.mol2 | 3ipq | 1 | -6.86 | c1(ccccc1Cl)C | 8 |
| 1uye_ligand_1_3.mol2 | 1uye | 1 | -6.81 | Cc1c(Cl)cccc1 | 8 |
121 ,
13
