Common name
thiophene
IUPAC name
thiophene
SMILES
s1cccc1
Common name
thiophene
IUPAC name
thiophene
SMILES
s1cccc1
INCHI
InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H
FORMULA
C4H4S
Common name
thiophene
IUPAC name
thiophene
Molecular weight
84.140
clogP
2.854
clogS
-0.950
Frequency
0.0076
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
28.24
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00180 | Raltitrexed |
|
Antineoplastic Agents; Antimetabolites; Antineoplastic and Immunomodulating Agents; Folic Acid Analogues; | For the treatment of malignant neoplasm of colon and rectum. |
| FDBD00320 | Teniposide |
|
Antineoplastic Agents; Immunosuppressive Agents; Enzyme Inhibitors; Nucleic Acid Synthesis Inhibitors; Topoisomerase II Inhibitors; Antineoplastic and Immunomodulating Agents; Podophyllotoxin Derivatives; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP3A4 Inhibitors; | Teniposide is used for the treatment of refractory acute lymphoblastic leukaemia. |
| FDBD00331 | Cefalotin |
|
Anti-Bacterial Agents; Cephalosporins; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; First-Generation Cephalosporins; | Used to prevent infection during surgery and to treat many kinds of infections of the blood, bone or joints, respiratory tract, skin, and urinary tract. |
| FDBD00349 | Duloxetine |
|
Dopamine Agents; Analgesics; Antidepressive Agents; Nervous System; Antidepressants; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Serotonin and Noradrenaline Reuptake Inhibitors; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the acute and maintenance treatment of major depressive disorder (MDD), as well as acute management of generalized anxiety disorder. Also used for the management of neuropathic pain associated with diabetic peripheral neuropathy, and fibromyalgia. Has been used in the management of moderate to severe stress urinary incontinence (SUI) in women. |
| FDBD00572 | Sufentanil |
|
Anesthetics, Intravenous; Analgesics, Opioid; Narcotics; Adjuvants, Anesthesia; Anesthetics; Nervous System; Anesthetics, General; Opioid Anesthetics; CYP3A4 Inhibitors; | Used as an analgesic adjunct in anesthesia and as a primary anesthetic drug in procedures requiring assisted ventilation and in the relief of pain. |
| FDBD00730 | Suprofen |
|
Anti-Inflammatory Agents, Non-Steroidal; Cyclooxygenase Inhibitors; Musculo-Skeletal System; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Propionic Acid Derivatives; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; | Used as eye drops to inhibit the miosis (pupil constriction) that may occur during ocular surgery. |
| FDBD00736 | Eprosartan |
|
Cardiovascular System; Angiotensin II Antagonists, Plain; Agents Acting on the Renin-Angiotensin System; Angiotensin II Antagonists and Diuretics; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Angiotensin II Receptor Antagonists; | For the management of hypertension alone or in combination with other classes of antihypertensive agents. Also used as a first-line agent in the treatment of diabetic nephropathy, as well as a second-line agent in the treatment of congestive heart failure (only in those intolerant of ACE inhibitors). |
| FDBD01137 | Cefoxitin |
|
Anti-Bacterial Agents; Cephalosporins; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Second-Generation Cephalosporins; | For the treatment of serious infections caused by susceptible strains microorganisms. |
| FDBD01185 | Tiotropium |
|
Bronchodilator Agents; Parasympatholytics; Cholinergic Antagonists; Respiratory System; Drugs for Obstructive Airway Diseases; Adrenergics, Inhalants; Anticholinergics; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | Used in the management of chronic obstructive pulmonary disease (COPD). |
| FDBD01198 | Stepronin |
|
Antiviral Agents; Immunosuppressive Agents; Expectorants; Mucolytics; Cough and Cold Preparations; Respiratory System; | Strepronin is a mucolytic (expectorant) drug. |
22 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3g1m_ligand_frag_0.mol2 | 3g1m | 1 | -6.08 | c1ccsc1 | 5 |
| 1ajq_ligand_frag_0.mol2 | 1ajq | 1 | -6.00 | s1cccc1 | 5 |
| 3fun_ligand_frag_2.mol2 | 3fun | 1 | -5.99 | c1cscc1 | 5 |
| 1dth_ligand_frag_11.mol2 | 1dth | 1 | -5.98 | c1cccs1 | 5 |
| 3fu6_ligand_frag_1.mol2 | 3fu6 | 1 | -5.92 | c1cccs1 | 5 |
| 5alt_ligand_frag_0.mol2 | 5alt | 1 | -5.91 | c1cscc1 | 5 |
| 4efs_ligand_frag_6.mol2 | 4efs | 1 | -5.89 | c1cccs1 | 5 |
108 ,
11
