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 |
|---|---|---|---|---|
| FDBD00014 | Biotin |
|
Vitamin B Complex; Vitamins; Dietary Supplements; Micronutrients; Supplements; Alimentary Tract and Metabolism; | For nutritional supplementation, also for treating dietary shortage or imbalance. |
| FDBD00024 | Alpha-Linolenic Acid |
|
Dietary Supplements; Micronutrients; Supplements; | For nutritional supplementation and for treating dietary shortage or imbalance. |
| FDBD00045 | Dihomo-gamma-linolenic acid |
|
Dietary Supplements; Micronutrients; Supplements; | For nutritional supplementation, also for treating dietary shortage or imbalance. |
| FDBD00049 | Icosapent |
|
Dietary Supplements; Micronutrients; Supplements; Omega-3 Fatty Acids; | EPA can be used for lowering elevated triglycerides in those who are hyperglyceridemic. In addition, EPA may play a therapeutic role in patients with cystic fibrosis by reducing disease severity and may play a similar role in type 2 diabetics in slowing the progression of diabetic nephropathy. |
| FDBD00055 | Lipoic Acid |
|
Vitamin B Complex; Antioxidants; Dietary Supplements; Micronutrients; Supplements; Alimentary Tract and Metabolism; Various Alimentary Tract and Metabolism Products; | For nutritional supplementation, also for treating dietary shortage or imbalance. |
| FDBD00118 | Pregabalin |
|
Anti-Anxiety Agents; Analgesics; Anticonvulsants; Calcium Channel Blockers; Nervous System; Antiepileptics; | Pregabalin is used for the management of neuropathic pain associated with diabetic peripheral neuropathy or spinal cord injury, and postherpetic neuralgia. It is also used as adjunctive therapy for adult patients with partial onset seizures and management of fibromyalgia. |
| FDBD00178 | Chlorambucil |
|
Antineoplastic Agents; Immunosuppressive Agents; Antineoplastic Agents, Alkylating; Alkylating Agents; Antineoplastic and Immunomodulating Agents; Nitrogen Mustard Analogues; | For treatment of chronic lymphatic (lymphocytic) leukemia, childhood minimal-change nephrotic syndrome, and malignant lymphomas including lymphosarcoma, giant follicular lymphoma, Hodgkin's disease, non-Hodgkin's lymphomas, and Waldenström's Macroglobulinemia. |
| FDBD00289 | Mupirocin |
|
Anti-Bacterial Agents; Protein Synthesis Inhibitors; Antibiotics; Respiratory System; Dermatologicals; Nasal Preparations; Antibiotics for Topical Use; | For the treatment of . |
| FDBD00306 | Carboprost Tromethamine |
|
Oxytocics; Abortifacient Agents, Nonsteroidal; Prostaglandins; Genito Urinary System and Sex Hormones; Uterotonics; Tromethamine; | For aborting pregnancy between the 13th and 20th weeks of gestation as calculated from the first day of the last normal menstrual period and in the following conditions related to second trimester abortion: 1. Failure of expulsion of the fetus during the course of treatment by another method; 2. Premature rupture of membranes in intrauterine methods with loss of drug and insufficient or absent uterine activity; 3. Requirement of a repeat intrauterine instillation of drug for expulsion of the fetus; 4. Inadvertent or spontaneous rupture of membranes in the presence of a previable fetus and absence of adequate activity for expulsion. Also for the treatment of postpartum hemorrhage due to uterine atony which has not responded to conventional methods of management. |
| FDBD00383 | Aminocaproic Acid |
|
Antifibrinolytic Agents; Blood and Blood Forming Organs; Antihemorrhagics; Amino Acids; | For use in the treatment of excessive postoperative bleeding. |
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
