Common name
butanamide
IUPAC name
butanamide
SMILES
NC(=O)CCC
Common name
butanamide
IUPAC name
butanamide
SMILES
NC(=O)CCC
INCHI
InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)
FORMULA
C4H9NO
Common name
butanamide
IUPAC name
butanamide
Molecular weight
87.120
clogP
-0.106
clogS
-0.563
Frequency
0.0062
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
43.09
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00006 | Felypressin |
|
Vasoconstrictor Agents; Renal Agents; | For use as an alternative to adrenaline as a localising agent, provided that local ischaemia is not essential. |
| FDBD00167 | Disopyramide |
|
Anti-Arrhythmia Agents; Voltage-Gated Sodium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; Antiarrhythmics, Class Ia; CYP3A4 Inhibitors; | For the treatment of documented ventricular arrhythmias, such as sustained ventricular tachycardia, ventricular pre-excitation and cardiac dysrhythmias. It is a Class Ia antiarrhythmic drug. |
| FDBD00699 | Progabide |
|
Antiparkinson Agents; Anticonvulsants; Antidepressive Agents; GABA Agonists; Antidyskinetics; Nervous System; Antiepileptics; Fatty Acid Derivatives; | Indicated for the treatment of epilepsy. |
| FDBD00762 | Bimatoprost |
|
Antihypertensive Agents; Anti-glaucoma Agents; Ophthalmologicals; Sensory Organs; Antiglaucoma Preparations and Miotics; Prostaglandin Analogues; | For the reduction of elevated intraocular pressure in patients with open angle glaucoma or ocular hypertension who are intolerant of other intraocular pressure lowering medications or insufficiently responsive (failed to achieve target IOP determined after multiple measurements over time) to another intraocular pressure lowering medication. |
| FDBD01039 | Acebutolol |
|
Antihypertensive Agents; Sympathomimetics; Adrenergic beta-1 Receptor Antagonists; Anti-Arrhythmia Agents; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; Beta Blocking Agents, Selective, and Thiazides; Beta Blocking Agents and Thiazides; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the management of hypertension and ventricular premature beats in adults. |
| FDBD01048 | Levetiracetam |
|
Nootropic Agents; Anticonvulsants; Nervous System; Antiepileptics; | Used as adjunctive therapy in the treatment of partial onset seizures in adults and children 4 years of age and older with epilepsy. |
| FDBD01274 | Isopropamide |
|
Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Quaternary Ammonium Compounds; | For the treatment of a wide range of gastrointestinal disorders, including such conditions as peptic ulcer, gastritis, hyperchlorhydria, functional diarrhea, irritable or spastic colon, pyloroduodenal irritability, pylorospasm, acute nonspecific gastroenteritis, biliary dyskinesia and chronic cholelithiasis, duodenitis, gastrointestinal spasm; it may also be used to treat genitourinary spasm. |
| FDBD01287 | Vorinostat |
|
Antineoplastic Agents; Histone Deacetylase Inhibitors; Antineoplastic and Immunomodulating Agents; | For the treatment of cutaneous manifestations in patients with cutaneous T-cell lymphoma who have progressive, persistent or recurrent disease on or following two systemic therapies. |
| FDBD01317 | Iodipamide |
|
Contrast Media; X-Ray Contrast Media, Iodinated; Watersoluble, Hepatotropic X-Ray Contrast Media; | Iodipamide is used as a contrast agent for cholecystography and intravenous cholangiography. |
| FDBD01475 | Capsaicin |
|
Anesthetics, Local; Antipruritics; Anesthetics; Sensory System Agents; Musculo-Skeletal System; Nervous System; Topical Products for Joint and Muscular Pain; Capsaicin and Similar Agents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | The capsaicin 8% patch is indicated in the treatment of neuropathic pain associated with post-herpetic neuralgia. There are multiple topical capsaicin formulations available, including creams and solutions, indicated for temporary analgesia in muscle and join pain as well as neuropathic pain. |
18 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2cej_ligand_2_52.mol2 | 2cej | 1 | -6.53 | C(C(C)(C)C)C(=O)N | 8 |
| 2cen_ligand_2_60.mol2 | 2cen | 1 | -6.52 | C(C(C)(C)C)C(=O)N | 8 |
| 2cem_ligand_2_60.mol2 | 2cem | 1 | -6.51 | NC(=O)CC(C)(C)C | 8 |
| 2wkz_ligand_2_76.mol2 | 2wkz | 1 | -6.50 | NC(=O)CC(C)(C)C | 8 |
| 2uy0_ligand_2_45.mol2 | 2uy0 | 1 | -6.49 | NC(=O)CC(C)(C)C | 8 |
| 2wl0_ligand_2_76.mol2 | 2wl0 | 1 | -6.47 | C(C(=O)N)C(C)(C)C | 8 |
| 1jld_ligand_3_624.mol2 | 1jld | 1 | -6.46 | [C@@H](C(=O)N)(C)C(C)(C)C | 9 |
| 2uxz_ligand_2_75.mol2 | 2uxz | 1 | -6.46 | C(C)(C)(C)CC(=O)N | 8 |
| 2xye_ligand_2_110.mol2 | 2xye | 1 | -6.44 | NC(=O)CC(C)(C)C | 8 |
600 ,
61
