Common name
pentanoic acid
IUPAC name
pentanoic acid
SMILES
CCCCC(=O)O
Common name
pentanoic acid
IUPAC name
pentanoic acid
SMILES
CCCCC(=O)O
INCHI
InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
FORMULA
C5H10O2
Common name
pentanoic acid
IUPAC name
pentanoic acid
Molecular weight
102.132
clogP
0.522
clogS
-0.780
Frequency
0.0079
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
37.3
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00753 | Benzylpenicilloyl Polylysine |
|
Acetamides; | For use as a adjunct in assessing the risk of administering penicillin (benzylpenicillin or penicillin G). |
| FDBD00898 | Lubiprostone |
|
Laxatives; Alimentary Tract and Metabolism; Drugs for Constipation; Chloride Channel Agonists; | For the treatment of chronic idiopathic constipation in the adult population. Also used for the treatment of irritable bowel syndrome with constipation in women who are 18 years of age or older. |
| FDBD01053 | Ridogrel |
|
Platelet Aggregation Inhibitors; Gastrointestinal Agents; Enzyme Inhibitors; Thrombolytic Agents; | Used as an adjunctive therapy to induce thrombolysis in patients suffering acute myocardial infarction. |
| FDBD01237 | Ursodeoxycholic acid |
|
Cholagogues and Choleretics; Alimentary Tract and Metabolism; Bile and Liver Therapy; Bile Acid Preparations; Bile Therapy; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); BSEP/ABCB11 Inhibitors; | The drug reduces cholesterol absorption and is used to dissolve (cholesterol) gallstones in patients who want an alternative to surgery. |
| FDBD01289 | Cholic Acid |
|
Alimentary Tract and Metabolism; Bile and Liver Therapy; Bile Acid Preparations; Bile Therapy; BSEP/ABCB11 Inhibitors; | Oral cholic acid is indicated for: treatment of bile acid synthesis disorders due to single enzyme defects; and as adjunctive treatment of peroxisomal disorders including Zellweger spectrum disorders in patients who exhibit manifestations of liver disease, steatorrhea or complications from decreased fat soluble vitamin absorption. |
| FDBD01300 | Deoxycholic Acid |
|
Cholagogues and Choleretics; | For improvement in appearance of moderate to severe fullness associated with submental fat in adults. |
| FDBD01305 | Oleic Acid |
|
; | |
| FDBD01431 | Ethanolamine Oleate |
|
Sclerosing Solutions; Cardiovascular System; Vasoprotectives; Sclerosing Agents for Local Injection; Antivaricose Therapy; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); | For the treatment of patients with esophageal varices that have recently bled, to prevent rebleeding. |
| 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. |
| FDBD01786 | Tianeptine |
|
Nervous System; Antidepressants; Psychoanaleptics; | Used primarily in the treatment of major depressive disorder, although it may also be used to treat asthma or irritable bowel syndrome. |
23 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2c1q_ligand_3_0.mol2 | 2c1q | 1 | -6.73 | CCCCC(=O)O | 7 |
| 4qfo_ligand_2_20.mol2 | 4qfo | 1 | -6.72 | C(C(=O)O)CC(C)C | 8 |
| 2avi_ligand_3_0.mol2 | 2avi | 1 | -6.64 | C(=O)(O)CCCC | 7 |
| 4pox_ligand_2_12.mol2 | 4pox | 1 | -6.64 | C(C(=O)O)CCC | 7 |
| 4pow_ligand_3_3.mol2 | 4pow | 1 | -6.58 | C(C)CCC(=O)O | 7 |
| 2uyw_ligand_3_0.mol2 | 2uyw | 1 | -6.54 | CCCCC(=O)O | 7 |
| 4bj8_ligand_3_0.mol2 | 4bj8 | 1 | -6.54 | C(=O)(O)CCCC | 7 |
255 ,
26
