Common name
ethyl carbamate
IUPAC name
ethyl carbamate
SMILES
CCOC(=O)N
Common name
ethyl carbamate
IUPAC name
ethyl carbamate
SMILES
CCOC(=O)N
INCHI
InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)
FORMULA
C3H7NO2
Common name
ethyl carbamate
IUPAC name
ethyl carbamate
Molecular weight
89.093
clogP
-0.722
clogS
0.097
Frequency
0.0055
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
52.32
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00290 | Carbachol |
|
Cardiotonic Agents; Analgesics, Non-Narcotic; Parasympathomimetics; Cholinergic Agonists; Miotics; Ophthalmologicals; Sensory Organs; Alimentary Tract and Metabolism; Nervous System; Antiglaucoma Preparations and Miotics; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Quaternary Ammonium Compounds; Choline Esters; | Primarily used in the treatment of glaucoma, but is also used during ophthalmic surgery. |
| FDBD00545 | Moricizine |
|
Anti-Arrhythmia Agents; Voltage-Gated Sodium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; | Used to treat irregular heartbeats (arrhythmias) and maintain a normal heart rate. |
| FDBD00804 | Felbamate |
|
Anticonvulsants; Nervous System; Antiepileptics; Cytochrome P-450 CYP2C19 Inducers; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For use only in those patients who respond inadequately to alternative treatments and whose epilepsy is so severe that a substantial risk of aplastic anemia and/or liver failure is deemed acceptable in light of the benefits conferred by its use. |
| FDBD00873 | Bethanechol |
|
Parasympathomimetics; Muscarinic Agonists; Nervous System; Choline Esters; | For the treatment of acute postoperative and postpartum nonobstructive (functional) urinary retention and for neurogenic atony of the urinary bladder with retention. |
| FDBD00951 | Capecitabine |
|
Antineoplastic Agents; Immunosuppressive Agents; Antimetabolites; Antimetabolites, Antineoplastic; Prodrugs; Antineoplastic and Immunomodulating Agents; Pyrimidine Analogues; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; | For the treatment of patients with metastatic breast cancer resistant to both paclitaxel and an anthracycline-containing chemotherapy regimen. May also be used in combination with docetaxel for the treatment of metastatic breast cancer in patients who have failed to respond to, or recurred or relasped during or following anthracycline-containing chemotherapy. Capecitabine is used alone as an adjuvant therapy following the complete resection of primary tumor in patients with stage III colon cancer when monotherapy with fluroprymidine is preferred. The use or capecitabine in combination regimens for advanced gastric cancer is currently being investigated. |
| FDBD01354 | Ezogabine |
|
Anticonvulsants; Nervous System; Antiepileptics; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); | Adjuvant treatment of partial-onset seizures. |
| FDBD01426 | Flupirtine |
|
Analgesics; Nervous System; | Investigated for use/treatment in fibromyalgia. |
| FDBD01636 | Vorapaxar |
|
Platelet Aggregation Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; | Vorapaxar is indicated for the reduction of thrombotic cardiovascular events in patients with a history of myocardial infarction (MI) or peripheral arterial disease (PAD). It is usually co-administered with acetylsalicylic acid (ASA) and/or clopidogrel, and should therefore be administered as an addition to these medications as it has not been studied alone. |
| FDBD01780 | Molsidomine |
|
Vasodilator Agents; Nitric Oxide Donors; Cardiovascular System; Cardiac Therapy; Vasodilators Used in Cardiac Diseases; | |
| FDBD01986 | fenoxycarb |
|
Insecticide | Insecticide |
16 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1uv6_ligand_2_2.mol2 | 1uv6 | 1 | -5.74 | C(OC(=O)N)C | 6 |
| 4r1y_ligand_2_46.mol2 | 4r1y | 1 | -5.63 | C(OC(=O)N)C | 6 |
| 2aux_ligand_2_26.mol2 | 2aux | 1 | -5.60 | NC(=O)OCC | 6 |
| 1yt7_ligand_2_45.mol2 | 1yt7 | 1 | -5.55 | C(OC(=O)N)C | 6 |
| 4djo_ligand_2_99.mol2 | 4djo | 1 | -5.46 | NC(=O)OCC | 6 |
| 2fs9_ligand_1_6.mol2 | 2fs9 | 1 | -5.40 | C(=O)(N)OCC | 6 |
| 4djq_ligand_2_88.mol2 | 4djq | 1 | -5.40 | CCOC(=O)N | 6 |
| 3hhu_ligand_1_0.mol2 | 3hhu | 1 | -5.28 | CCOC(=O)N | 6 |
| 3jvr_ligand_1_0.mol2 | 3jvr | 1 | -5.28 | C(C)OC(=O)N | 6 |
144 ,
15
