Common name
2-hydroxyacetaldehyde
IUPAC name
2-hydroxyacetaldehyde
SMILES
O=CCO
Common name
2-hydroxyacetaldehyde
IUPAC name
2-hydroxyacetaldehyde
SMILES
O=CCO
INCHI
InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2
FORMULA
C2H4O2
Common name
2-hydroxyacetaldehyde
IUPAC name
2-hydroxyacetaldehyde
Molecular weight
60.052
clogP
-0.330
clogS
0.516
Frequency
0.0103
HBond Acceptor
2
HBond Donor
1
Total Polar
Surface Area
37.3
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00069 | Flunisolide |
|
Anti-Asthmatic Agents; Anti-Inflammatory Agents; Glucocorticoids; Corticosteroids; Respiratory System; Drugs for Obstructive Airway Diseases; Nasal Preparations; CYP3A4 Inhibitors; | For the maintenance treatment of asthma as a prophylactic therapy. |
| FDBD00111 | Diflorasone |
|
Anti-Inflammatory Agents; Glucocorticoids; Dermatologicals; Corticosteroids, Potent (Group III); Corticosteroids, Plain; Corticosteroids, Dermatological Preparations; | For relief of the inflammatory and pruritic manifestations of corticosteroid responsive dermatoses. |
| FDBD00128 | Alclometasone |
|
Antipruritics; Corticosteroids; Ophthalmologicals; Sensory Organs; Dermatologicals; Corticosteroids, Plain; Corticosteroids, Dermatological Preparations; Corticosteroids, Moderately Potent (Group II); Antiinflammatory Agents; CYP3A4 Inhibitors; | For the relief of the inflammatory and pruritic manifestations of corticosteroid-responsive dermatoses. |
| FDBD00319 | Betamethasone |
|
Anti-Asthmatic Agents; Anti-Inflammatory Agents; Immunosuppressive Agents; Glucocorticoids; Corticosteroids; Respiratory System; Ophthalmologicals; Sensory Organs; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Drugs for Obstructive Airway Diseases; Alimentary Tract and Metabolism; Dermatologicals; Nasal Preparations; Cardiovascular System; Corticosteroids, Potent (Group III); Corticosteroids, Plain; Corticosteroids, Dermatological Preparations; Intestinal Antiinflammatory Agents; Antidiarrheals, Intestinal Anti-Inflammatory/antiinfective Agents; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Vasoprotectives; Otologicals; Corticosteroids Acting Locally; Corticosteroids for Systemic Use, Plain; Corticosteroids for Systemic Use; Ophthalmological and Otological Preparations; CYP3A4 Inhibitors; | |
| FDBD00321 | Epirubicin |
|
Antineoplastic Agents; Immunosuppressive Agents; Antibiotics, Antineoplastic; Topoisomerase II Inhibitors; Antineoplastic and Immunomodulating Agents; Cytotoxic Antibiotics and Related Substances; Anthracyclines and Related Substances; | For use as a component of adjuvant therapy in patients with evidence of axillary node tumor involvement following resection of primary breast cancer. |
| FDBD00414 | Desoximetasone |
|
Anti-Inflammatory Agents; Glucocorticoids; Dermatologicals; Corticosteroids, Potent (Group III); Corticosteroids, Plain; Corticosteroids, Dermatological Preparations; | For the relief of the inflammatory and pruritic manifestations of corticosteroid-responsive dermatoses. |
| FDBD00456 | Fluocinolone Acetonide |
|
Anti-Inflammatory Agents; Glucocorticoids; Corticosteroids; Ophthalmologicals; Sensory Organs; Dermatologicals; Cardiovascular System; Corticosteroids, Potent (Group III); Corticosteroids, Plain; Corticosteroids, Dermatological Preparations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Vasoprotectives; Otologicals; Biocompatible Materials; | For the relief of the inflammatory and pruritic manifestations of corticosteroid-responsive dermatoses. Also for the treatment of chronic non-infectious uveitis affecting the posterior segment of the eye (Retisert). |
| FDBD00485 | Triamcinolone |
|
Anti-Inflammatory Agents; Immunosuppressive Agents; Enzyme Inhibitors; Glucocorticoids; Corticosteroids; Respiratory System; Ophthalmologicals; Sensory Organs; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Drugs for Obstructive Airway Diseases; Alimentary Tract and Metabolism; Stomatological Preparations; Dermatologicals; Nasal Preparations; Cardiovascular System; Corticosteroids, Plain; Corticosteroids, Dermatological Preparations; Corticosteroids, Moderately Potent (Group II); Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Vasoprotectives; Otologicals; Corticosteroids for Systemic Use, Plain; Corticosteroids for Systemic Use; Corticosteroids for Local Oral Treatment; CYP3A4 Inhibitors; | For the treatment of perennial and seasonal allergic rhinitis. |
| FDBD00500 | Prednisone |
|
Antineoplastic Agents, Hormonal; Anti-Inflammatory Agents; Immunosuppressive Agents; Glucocorticoids; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Alimentary Tract and Metabolism; Intestinal Antiinflammatory Agents; Antidiarrheals, Intestinal Anti-Inflammatory/antiinfective Agents; Corticosteroids Acting Locally; Corticosteroids for Systemic Use, Plain; Corticosteroids for Systemic Use; Cytochrome P-450 CYP2C19 Inducers; CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment of drug-induced allergic reactions, perennial or seasonal allergic rhinitis, serum sickness, giant cell arteritis acute rheumatic or nonrheumatic carditis, systemic dermatomyositis, systemic lupus erythematosus, atopic dermatitis, contact dermatitis, exfoliative dermatitis, bullous dermatitis herpetiformis, severe seborrheic dermatitis, severe (Stevens-Johnson syndrome) erythema multiforme, mycosis fungoides, pemphigus, severe psoriasis, acute adrenocortical insufficiency, Addison's disease, secondary adrenocortical insufficiency, congenital adrenal hyperplasia, hypercalcemia associated with neoplasms, nonsuppurative thyroiditis, ulceratice colitis, Crohn's disease, acquired hemolytic anemia, congenital hypoplastic anemia, erythroblastopenia, adult secondary thrombocytopenia, adult idiopathic thrombocytopenia purpura, acute or subacute bursitis, epicondylitis, acute nonspecific tenosynovitis, acute or chronic lymphocytic leukemia, Hodgkin's or non-Hodgkin's lynphomas, Waldenstrom's macroglobulinemia, primary brain tumors (adjunct), nephrotic syndrome, tuberculous meningitis, multiple sclerosis, myasthenia gravis. cerebral edema, chorioretinitis, diffuse posterior choroiditis, aleergic conjunctivitis, Herpes zoster ophthalmicus, anterior segment inflammation, iridocyclitis, iritis, keratitis, optoc neuritis, sympathetic ophthalmia, corneal marginal allergic ulcers, symptomatic sarcoidosis, Loeffler's syndrome not manageable by other means, berylliosis, fulminating or disseminated pulmonary tuberculosis when used concurrently with appropriate antituberculous chemotherapy and aspiration pneumonitis. |
| FDBD00528 | Flumethasone |
|
Anti-Inflammatory Agents; Glucocorticoids; | For the treatment of contact dermatitis, atopic dermatitis, exczema, psoriasis, diaper rash and other skin conditions. |
30 ,
4
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vvp_ligand_frag_3.mol2 | 2vvp | 1 | -5.49 | C(O)C=O | 4 |
| 2a3i_ligand_1_1.mol2 | 2a3i | 1 | -5.47 | C(O)C=O | 4 |
| 4bc5_ligand_1_0.mol2 | 4bc5 | 1 | -5.42 | C(O)C=O | 4 |
| 4udb_ligand_1_2.mol2 | 4udb | 1 | -5.41 | C(O)C=O | 4 |
| 4uda_ligand_1_1.mol2 | 4uda | 1 | -5.39 | C(=O)CO | 4 |
| 1koj_ligand_1_0.mol2 | 1koj | 1 | -5.34 | C(O)C=O | 4 |
| 4uat_ligand_2_0.mol2 | 4uat | 1 | -5.31 | OCC=O | 4 |
| 4uau_ligand_2_0.mol2 | 4uau | 1 | -5.30 | OCC=O | 4 |
| 4uat_ligand_1_2.mol2 | 4uat | 1 | -5.29 | C(O)C=O | 4 |
226 ,
23
