Common name
butyric acid
IUPAC name
butyric acid
SMILES
CCCC(=O)O
Common name
butyric acid
IUPAC name
butyric acid
SMILES
CCCC(=O)O
INCHI
InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
FORMULA
C4H8O2
Common name
butyric acid
IUPAC name
butyric acid
Molecular weight
88.105
clogP
0.133
clogS
-0.349
Frequency
0.0131
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
37.3
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01084 | Epoprostenol |
|
Platelet Aggregation Inhibitors; Antihypertensive Agents; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; | For the long-term intravenous treatment of primary pulmonary hypertension and pulmonary hypertension associated with the scleroderma spectrum of disease in NYHA Class III and Class IV patients who do not respond adequately to conventional therapy. |
| FDBD01305 | Oleic Acid |
|
; | |
| FDBD01342 | Bepotastine |
|
Mast Cell Stabilizers; | For the symptomatic treatment of itchy eyes (caused by IgE-induced mast cell degranulation) due to allergic conjunctivitis. |
| 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. |
| FDBD01471 | Bendamustine |
|
Antineoplastic Agents; Antineoplastic Agents, Alkylating; Alkylating Agents; Antineoplastic and Immunomodulating Agents; Nitrogen Mustard Analogues; | Bendamustine is indicated for treatment of chronic lymphocytic leukemia (CLL). |
| FDBD01503 | Sodium phenylbutyrate |
|
Alimentary Tract and Metabolism; Various Alimentary Tract and Metabolism Products; | |
| FDBD01589 | Iopanoic acid |
|
Contrast Media; X-Ray Contrast Media, Iodinated; Watersoluble, Hepatotropic X-Ray Contrast Media; | |
| 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. |
| FDBD01814 | Tyropanoic acid |
|
Contrast Media; X-Ray Contrast Media, Iodinated; Watersoluble, Hepatotropic X-Ray Contrast Media; | For use in cholecystography (X-ray diagnosis of gallstones). |
| FDBD01962 | copper oleate |
|
Insecticide | Insecticide |
38 ,
4
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2c1q_ligand_2_0.mol2 | 2c1q | 1 | -6.47 | CCCC(=O)O | 6 |
| 4igr_ligand_3_6.mol2 | 4igr | 1 | -6.41 | C[C@@H](CC)C(=O)O | 7 |
| 2avi_ligand_2_0.mol2 | 2avi | 1 | -6.40 | C(=O)(O)CCC | 6 |
| 4nwd_ligand_3_6.mol2 | 4nwd | 1 | -6.39 | C([C@@H](C(=O)O)C)C | 7 |
| 2i4j_ligand_1_0.mol2 | 2i4j | 1 | -6.37 | [C@H](C(=O)O)(C)CC | 7 |
| 1d6s_ligand_2_7.mol2 | 1d6s | 1 | -6.35 | C(C)CC(=O)O | 6 |
| 2i4z_ligand_1_0.mol2 | 2i4z | 1 | -6.34 | [C@@H](C(=O)O)(C)CC | 7 |
| 4igt_ligand_3_6.mol2 | 4igt | 1 | -6.34 | C[C@@H](CC)C(=O)O | 7 |
433 ,
44
