Common name
propionic acid
IUPAC name
propionic acid
SMILES
CCC(=O)O
Common name
propionic acid
IUPAC name
propionic acid
SMILES
CCC(=O)O
INCHI
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
FORMULA
C3H6O2
Common name
propionic acid
IUPAC name
propionic acid
Molecular weight
74.079
clogP
-0.220
clogS
0.088
Frequency
0.0395
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
37.3
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00440 | Fenoprofen |
|
Anti-Inflammatory Agents, Non-Steroidal; Cyclooxygenase Inhibitors; Propionates; Musculo-Skeletal System; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Propionic Acid Derivatives; | For relief of the signs and symptoms of rheumatoid arthritis and osteoarthritis. Also for the relief of mild to moderate pain. |
| FDBD00452 | Cinalukast |
|
Anti-Arrhythmia Agents; | For Protection against second- phase inflamation in exercise-induced bronchoconstriction and Asthma. |
| FDBD00481 | Candoxatril |
|
Prodrugs; | For treatment of hypertension, improve exercise capacity in patients with CHF receiving angiotensin converting enzyme inhibition. |
| FDBD00507 | Pemetrexed |
|
Antineoplastic Agents; Immunosuppressive Agents; Enzyme Inhibitors; Antimetabolites; Folic Acid Antagonists; Nucleic Acid Synthesis Inhibitors; Antineoplastic and Immunomodulating Agents; Folic Acid Analogues; | Used in combination with cisplatin for the treatment of malignant pleural mesothelioma in adults whose disease is unresectable or who otherwise are not candidates for potentially curative surgery. Also used as a monotherapy for the treatment of locally advanced or metastatic non-small cell lung cancer (NSCLC) after prior chemotherapy. |
| FDBD00515 | Leucovorin |
|
Vitamin B Complex; Vitamins; Antidotes; Anti-anemic Agents; Antineoplastics, Adjuncts; | For the treatment of osteosarcoma (after high dose methotrexate therapy). Used to diminish the toxicity and counteract the effects of impaired methotrexate elimination and of inadvertent overdosages of folic acid antagonists, and to treat megaloblastic anemias due to folic acid deficiency. Also used in combination with 5-fluorouracil to prolong survival in the palliative treatment of patients with advanced colorectal cancer. |
| FDBD00571 | Porfimer |
|
Antineoplastic Agents; Dermatologic Agents; Photosensitizing Agents; Antineoplastic and Immunomodulating Agents; Sensitizers Used in Photodynamic/radiation Therapy; | Indicated in the treatment of esophageal cancer. |
| FDBD00576 | Flurbiprofen |
|
Anti-Inflammatory Agents, Non-Steroidal; Cyclooxygenase Inhibitors; Analgesics; Respiratory System; Ophthalmologicals; Sensory Organs; Throat Preparations; Musculo-Skeletal System; Antiinflammatory Agents; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Antiinflammatory Preparations, Non-Steroids for Topical Use; Topical Products for Joint and Muscular Pain; Propionic Acid Derivatives; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; | Flurbiprofen tablets are indicated for the acute or long-term symptomatic treatment of rheumatoid arthritis, osteorarthritis and anklosing spondylitis. It may also be used to treat pain associated with dysmenorrhea and mild to moderate pain accompanied by inflammation (e.g. bursitis, tendonitis, soft tissue trauma). Topical ophthalmic formulations may be used pre-operatively to prevent intraoperative miosis. |
| FDBD00586 | Lisinopril |
|
Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Cardiotonic Agents; Lipid Modifying Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; ACE Inhibitors and Calcium Channel Blockers; | For the treatment of hypertension and symptomatic congestive heart failure. May be used in conjunction with thrombolytic agents, aspirin and/or β-blockers to improve survival in hemodynamically stable individuals following myocardial infarction. May be used to slow the progression of renal disease in hypertensive patients with diabetes mellitus and microalbuminuria or overt nephropathy. |
| FDBD00595 | Nateglinide |
|
Hypoglycemic Agents; Meglitinides; Drugs Used in Diabetes; Alimentary Tract and Metabolism; Blood Glucose Lowering Drugs, Excl. Insulins; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of non-insulin dependent-diabetes mellitus in conjunction with diet and exercise. |
| FDBD00633 | Alprostadil |
|
Platelet Aggregation Inhibitors; Vasodilator Agents; Prostaglandins; Genito Urinary System and Sex Hormones; Cardiovascular System; Drugs Used in Erectile Dysfunction; Cardiac Therapy; Urological Agents; | For palliative, not definitive, therapy to temporarily maintain the patency of the ductus arteriosus until corrective or palliative surgery can be performed in neonates who have congenital heart defects and who depend upon the patent ductus for survival. Also for the treatment of erectile dysfunction due to neurogenic, vasculogenic, psychogenic, or mixed etiology. |
115 ,
12
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v77_ligand_2_5.mol2 | 2v77 | 1 | -6.37 | C(C(=O)O)(C)C | 6 |
| 4euo_ligand_1_1.mol2 | 4euo | 1 | -6.32 | CCC(=O)O | 5 |
| 4nwc_ligand_2_3.mol2 | 4nwc | 1 | -6.30 | CC(C(=O)O)C | 6 |
| 3bhx_ligand_2_12.mol2 | 3bhx | 1 | -6.29 | CC(C(=O)O)C | 6 |
| 2c6c_ligand_2_5.mol2 | 2c6c | 1 | -6.27 | CC(C(=O)O)C | 6 |
| 3bi0_ligand_2_17.mol2 | 3bi0 | 1 | -6.27 | CC(C)C(=O)O | 6 |
| 3bi1_ligand_2_60.mol2 | 3bi1 | 1 | -6.26 | CC(C(=O)O)C | 6 |
| 3ip9_ligand_1_1.mol2 | 3ip9 | 1 | -6.25 | CCC(=O)O | 5 |
1188 ,
119
