Common name
ethanol
IUPAC name
ethanol
SMILES
CCO
Common name
ethanol
IUPAC name
ethanol
SMILES
CCO
INCHI
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
FORMULA
C2H6O
Common name
ethanol
IUPAC name
ethanol
Molecular weight
46.068
clogP
-0.315
clogS
0.129
Frequency
0.1474
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00648 | Marimastat |
|
Enzyme Inhibitors; | For the treatment of various cancers. |
| FDBD00649 | Aciclovir |
|
Antiviral Agents; Nucleic Acids, Nucleotides, and Nucleosides; Ophthalmologicals; Sensory Organs; Antiinfectives for Systemic Use; Dermatologicals; Direct Acting Antivirals; Antivirals for Systemic Use; Nucleosides and Nucleotides Excl. Reverse Transcriptase Inhibitors; Antiinfectives; | For the treatment and management of herpes zoster (shingles), genital herpes, and chickenpox. |
| FDBD00658 | Candesartan |
|
Antihypertensive Agents; Angiotensin II Type 1 Receptor Blockers; Angiotensin Receptor Antagonists; Cardiovascular System; Angiotensin II Antagonists, Plain; Agents Acting on the Renin-Angiotensin System; Angiotensin II Antagonists and Diuretics; Angiotensin II Antagonists and Calcium Channel Blockers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; Angiotensin II Receptor Antagonists; | May be used as a first line agent to treat uncomplicated hypertension, isolated systolic hypertension and left ventricular hypertrophy. May be used as a first line agent to delay progression of diabetic nephropathy. Candesartan may be also used as a second line agent in the treatment of congestive heart failure, systolic dysfunction, myocardial infarction and coronary artery disease in those intolerant of ACE inhibitors. |
| FDBD00665 | Colistin |
|
Anti-Bacterial Agents; Antibiotics; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antibacterials for Intramammary Use; Antidiarrheals, Intestinal Anti-Inflammatory/antiinfective Agents; Antiinfectives and Antiseptics for Intrauterine Use; Intestinal Antiinfectives; Polymyxins; | For the treatment of acute or chronic infections due to sensitive strains of certain gram-negative bacilli, particularly . |
| FDBD00671 | Tropicamide |
|
Muscarinic Antagonists; Mydriatics; Diagnostic Agents; Ophthalmologicals; Sensory Organs; Anticholinergics; Mydriatics and Cycloplegics; | Indicated to induce mydriasis (dilation of the pupil) and cycloplegia (paralysis of the ciliary muscle of the eye) in diagnostic procedures, such as measurement of refractive errors and examination of the fundus of the eye. |
| FDBD00672 | Biperiden |
|
Antiparkinson Agents; Muscarinic Antagonists; Parasympatholytics; Antidyskinetics; Nervous System; Anti-Parkinson Drugs; Anticholinergics; Tertiary Amines; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For use as an adjunct in the therapy of all forms of parkinsonism and control of extrapyramidal disorders secondary to neuroleptic drug therapy. |
| FDBD00678 | Orciprenaline |
|
Sympathomimetics; Adrenergic beta-2 Receptor Agonists; Bronchodilator Agents; Tocolytic Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Adrenergics, Inhalants; Adrenergics for Systemic Use; Non-Selective Beta-Adrenoreceptor Agonists; Beta2 Agonists; | For the treatment of bronchospasm, chronic bronchitis, asthma, and emphysema. |
| FDBD00710 | Perphenazine |
|
Antipsychotic Agents; Dopamine Antagonists; Phenothiazines; Nervous System; Psycholeptics; Phenothiazines With Piperazine Structure; 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; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For use in the management of the manifestations of psychotic disorders and for the control of severe nausea and vomiting in adults. |
| FDBD00716 | Chlorphenesin |
|
Muscle Relaxants, Central; Dermatologicals; Antifungals for Topical Use; Antifungals for Dermatological Use; CYP3A4 Inhibitors; | Used along with rest and physical therapy to treat injuries and other painful muscular conditions. Investigated for use in trigeminal neuralgia (tic douloureux); a neuropathic disorder characterized by severe facial pain. Was investigated as a modulator of histamine release. |
| FDBD00722 | Vardenafil |
|
Vasodilator Agents; Phosphodiesterase 5 Inhibitors; Anti-Impotence Agents; Genito Urinary System and Sex Hormones; Drugs Used in Erectile Dysfunction; Urological Agents; CYP3A4 Inhibitors; | Used for the treatment of erectile dysfunction. |
429 ,
43
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2reg_ligand_1_0.mol2 | 2reg | 1 | -5.87 | C(O)C | 3 |
| 3c2u_ligand_1_4.mol2 | 3c2u | 1 | -5.81 | CCO | 3 |
| 3aje_ligand_frag_1.mol2 | 3aje | 1 | -5.79 | C(O)C | 3 |
| 4bt4_ligand_frag_1.mol2 | 4bt4 | 1 | -5.74 | C(O)C | 3 |
| 4bt5_ligand_frag_1.mol2 | 4bt5 | 1 | -5.74 | C(O)C | 3 |
| 4hwp_ligand_frag_0.mol2 | 4hwp | 1 | -5.74 | CCO | 3 |
| 3c2u_ligand_1_3.mol2 | 3c2u | 1 | -5.72 | CCO | 3 |
| 4hwr_ligand_frag_2.mol2 | 4hwr | 1 | -5.72 | C(O)C | 3 |
| 4hwo_ligand_frag_2.mol2 | 4hwo | 1 | -5.71 | C(O)C | 3 |
2270 ,
228
