Common name
acetaldehyde
IUPAC name
acetaldehyde
SMILES
CC=O
Common name
acetaldehyde
IUPAC name
acetaldehyde
SMILES
CC=O
INCHI
InChI=1S/C2H4O/c1-2-3/h2H,1H3
FORMULA
C2H4O
Common name
acetaldehyde
IUPAC name
acetaldehyde
Molecular weight
44.053
clogP
-0.008
clogS
0.019
Frequency
0.0182
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
17.07
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00033 | N-Acetyl-D-glucosamine |
|
Dietary Supplements; Micronutrients; Supplements; | For the treatment and prevention of osteoarthritis, by itself or in combination with chondroitin sulfate. |
| FDBD00141 | Medrysone |
|
Anti-Inflammatory Agents; Ophthalmologicals; Sensory Organs; Corticosteroids, Plain; Antiinflammatory Agents; | For the treatment of allergic conjunctivitis, vernal conjunctivitis, episcleritis, and epinephrine sensitivity. |
| FDBD00210 | Fluorometholone |
|
Anti-Allergic Agents; Anti-Inflammatory Agents; Glucocorticoids; Anti-Acne Preparations; Corticosteroids; Ophthalmologicals; Sensory Organs; Dermatologicals; Anti-Acne Preparations for Topical Use; Cardiovascular System; Corticosteroids, Plain; Corticosteroids, Dermatological Preparations; Corticosteroids, Moderately Potent (Group II); Antiinflammatory Agents; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Vasoprotectives; CYP3A4 Inhibitors; | For the ophthalmic treatment of corticosteroid-responsive inflammation of the palpebral and bulbar conjunctiva, cornea and anterior segment of the globe. |
| FDBD00218 | Methadone |
|
Analgesics; Analgesics, Opioid; Narcotics; Antitussive Agents; Nervous System; Drugs Used in Addictive Disorders; Opioids; Diphenylpropylamine Derivatives; Drugs Used in Opioid Dependence; 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; Antiemetics Antagonists; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment of dry cough, drug withdrawal syndrome, opioid type drug dependence, and pain. |
| FDBD00235 | Megestrol acetate |
|
Antineoplastic Agents, Hormonal; Appetite Stimulants; | For the treatment of anorexia, cachexia, or an unexplained, significant weight loss in patients with a diagnosis of acquired immunodeficiency syndrome (AIDS). Also used for the palliative management of recurrent, inoperable, or metastatic breast cancer, endometrial cancer, and prostate cancer in Canada and some other countries. |
| FDBD00260 | Dydrogesterone |
|
Progestins; Progesterones; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Progestogens; Progestogens and Estrogens, Sequential Preparations; Pregnadien Derivatives; | Used to treat irregular duration of cycles and irregular occurrence and duration of periods caused by progesterone deficiency. Also used to prevent natural abortion in patients who have a history of habitual abortions. |
| FDBD00276 | Progesterone |
|
Progestins; Contraceptive Agents; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Progestogens; Pregnen (4) Derivatives; 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; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; BSEP/ABCB11 Inhibitors; Combined Inducers of CYP3A4 and P-glycoprotein; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For progesterone supplementation or replacement as part of an Assisted Reproductive Technology (ART) treatment for infertile women with progesterone deficiency and for the treatment of secondary amenorrhea. Also used for the reduction of the incidence of endometrial hyperplasia and the attendant risk of endometrial carcinoma in postmenopausal women receiving estrogen replacement therapy, as well as treatment of abnormal uterine bleeding due to hormonal imbalance in the absence of organic pathology such as fibroids or uterine cancer. |
| FDBD00325 | Droperidol |
|
Antipsychotic Agents; Adjuvants, Anesthesia; Adrenergic alpha-1 Receptor Antagonists; Antiemetics; Dopamine Antagonists; Nervous System; Psycholeptics; Butyrophenone Derivatives; Dopamine D2 Receptor Antagonists; | Droperidol is ssed to produce tranquilization and to reduce the incidence of nausea and vomiting in surgical and diagnostic procedures. |
| FDBD00336 | Nabumetone |
|
Cyclooxygenase 2 Inhibitors; Musculo-Skeletal System; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; | For acute and chronic treatment of signs and symptoms of osteoarthritis and rheumatoid arthritis. |
| FDBD00375 | Haloperidol |
|
Antipsychotic Agents; Antiemetics; Dopamine Antagonists; Anti-Dyskinesia Agents; Butyrophenones; Antidyskinetics; Nervous System; Psycholeptics; Butyrophenone Derivatives; 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); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the management of psychotic disorders (eg. schizophrenia) and delirium, as well as to control tics and vocal utterances of Tourette's syndrome (Gilles de la Tourette's syndrome). Also used for the treatment of severe behavioural problems in children with disrubtive behaviour disorder or ADHD (attention-deficit hyperactivity disorder). Haloperidol has been used in the prevention and control of severe nausea and vomiting. |
53 ,
6
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1zz3_ligand_1_2.mol2 | 1zz3 | 1 | -5.71 | CC=O | 3 |
| 2ntf_ligand_1_7.mol2 | 2ntf | 1 | -5.59 | CC=O | 3 |
| 3as2_ligand_frag_5.mol2 | 3as2 | 1 | -5.56 | C(=O)C | 3 |
| 2aa6_ligand_frag_1.mol2 | 2aa6 | 1 | -5.55 | C(=O)C | 3 |
| 1d7j_ligand_frag_0.mol2 | 1d7j | 1 | -5.54 | C(=O)C | 3 |
| 2dbl_ligand_frag_1.mol2 | 2dbl | 1 | -5.54 | C(=O)C | 3 |
| 2ntf_ligand_1_8.mol2 | 2ntf | 1 | -5.54 | C(=O)C | 3 |
260 ,
27
