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 |
|---|---|---|---|---|
| FDBD01476 | Carglumic Acid |
|
Alimentary Tract and Metabolism; Amino Acids and Derivatives; | For the treatment of acute and chronic hyperammonaemia in patients with N-acetylglutamate synthase (NAGS) deficiency. This enzyme is an important component of the urea cycle to prevent build up of neurotoxic ammonium in the blood. |
| FDBD01477 | Chenodeoxycholic acid |
|
Gastrointestinal Agents; Cathartics; Alimentary Tract and Metabolism; Bile and Liver Therapy; Bile Acid Preparations; Bile Therapy; CYP3A4 Inhibitors; | Chenodiol is indicated for patients with radiolucent stones in well-opacifying gallbladders, in whom selective surgery would be undertaken except for the presence of increased surgical risk due to systemic disease or age. Chenodiol will not dissolve calcified (radiopaque) or radiolucent bile pigment stones. |
| FDBD01500 | Pralatrexate |
|
Antineoplastic Agents; Immunosuppressive Agents; Antimetabolites; Antineoplastic and Immunomodulating Agents; Folic Acid Analogues; | Treatment of relapsed or refractory peripheral T-cell lymphoma. |
| FDBD01503 | Sodium phenylbutyrate |
|
Alimentary Tract and Metabolism; Various Alimentary Tract and Metabolism Products; | |
| FDBD01540 | Spaglumic Acid |
|
Mast Cell Stabilizers; Respiratory System; Ophthalmologicals; Sensory Organs; Nasal Preparations; Decongestants and Antiallergics; Antiallergic Agents, Excl. Corticosteroids; | Used in patients with allergic conjunctivitis. |
| FDBD01558 | Linaclotide |
|
Alimentary Tract and Metabolism; Drugs for Constipation; | Treatment of irritable bowel syndrome (IBS) with constipation and chronic idiopathic constipation. |
| FDBD01589 | Iopanoic acid |
|
Contrast Media; X-Ray Contrast Media, Iodinated; Watersoluble, Hepatotropic X-Ray Contrast Media; | |
| FDBD01605 | Fenbufen |
|
Musculo-Skeletal System; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Propionic Acid Derivatives; | |
| FDBD01621 | Clinofibrate |
|
; | |
| FDBD01626 | Potassium Canrenoate |
|
Diuretics; Mineralocorticoid Receptor Antagonists; Cardiovascular System; Potassium-Sparing Agents; Aldosterone Antagonists; |
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
