Common name
methyl carbamate
IUPAC name
methyl carbamate
SMILES
O(C(=O)N)C
Common name
methyl carbamate
IUPAC name
methyl carbamate
SMILES
O(C(=O)N)C
INCHI
InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)
FORMULA
C2H5NO2
Common name
methyl carbamate
IUPAC name
methyl carbamate
Molecular weight
75.067
clogP
-0.896
clogS
0.534
Frequency
0.0117
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
52.32
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00192 | Mitomycin |
|
Antineoplastic Agents; Immunosuppressive Agents; Nucleic Acid Synthesis Inhibitors; Antibiotics, Antineoplastic; Alkylating Agents; Cross-Linking Reagents; Antineoplastic and Immunomodulating Agents; Cytotoxic Antibiotics and Related Substances; | For treatment of malignant neoplasm of lip, oral cavity, pharynx, digestive organs, peritoneum, female breast, and urinary bladder. Also used as an adjunct to ab externo glaucoma surgery. |
| FDBD00254 | Meprobamate |
|
Anti-Anxiety Agents; Hypnotics and Sedatives; Anticonvulsants; Muscle Relaxants, Central; Nervous System; Anxiolytics; Psycholeptics; Carbamates; Cytochrome P-450 CYP2C19 Inducers; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); | For the management of anxiety disorders or for the short-term relief of the symptoms of anxiety. |
| FDBD00275 | Carisoprodol |
|
Muscle Relaxants, Central; Neuromuscular Agents; Muscle Relaxants, Skeletal; Musculo-Skeletal System; Muscle Relaxants, Centrally Acting Agents; Muscle Relaxants; Carbamic Acid Esters; Cytochrome P-450 CYP2C19 Inducers; | For the relief of discomfort associated with acute, painful, musculoskeletal conditions. |
| 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. |
| FDBD00300 | Methocarbamol |
|
Muscle Relaxants, Central; Musculo-Skeletal System; Muscle Relaxants, Centrally Acting Agents; Muscle Relaxants; Carbamic Acid Esters; | For use as an adjunct to rest, physical therapy, and other measures for the relief of discomforts associated with acute, painful musculoskeletal conditions. |
| FDBD00376 | Ritonavir |
|
Protease Inhibitors; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; Combined Inducers of CYP3A4 and P-glycoprotein; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Indicated in combination with other antiretroviral agents for the treatment of HIV-infection. |
| FDBD00388 | Albendazole |
|
Antiprotozoal Agents; Tubulin Modulators; Antinematodal Agents; Anthelmintics; Anticestodal Agents; Antiparasitic Products, Insecticides and Repellents; Benzimidazole Derivatives; Benzimidazoles and Related Substances; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP3A4 Inhibitors; | For the treatment of parenchymal neurocysticercosis due to active lesions caused by larval forms of the pork tapeworm, . |
| FDBD00508 | Mebendazole |
|
Tubulin Modulators; Antinematodal Agents; Anthelmintics; Antiparasitic Products, Insecticides and Repellents; Benzimidazole Derivatives; Benzimidazoles and Related Substances; CYP3A4 Inhibitors; | For the treatment of . |
| 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. |
| FDBD00923 | Atazanavir |
|
Anti-HIV Agents; Protease Inhibitors; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Used in combination with other antiretroviral agents for the treatment of HIV-1 infection, as well as postexposure prophylaxis of HIV infection in individuals who have had occupational or nonoccupational exposure to potentially infectious body fluids of a person known to be infected with HIV when that exposure represents a substantial risk for HIV transmission. |
34 ,
4
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4kov_ligand_1_2.mol2 | 4kov | 1 | -5.52 | NC(=O)OC | 5 |
| 4kow_ligand_1_1.mol2 | 4kow | 1 | -5.50 | COC(=O)N | 5 |
| 1tu6_ligand_1_5.mol2 | 1tu6 | 1 | -5.43 | NC(=O)OC | 5 |
| 4tmn_ligand_1_5.mol2 | 4tmn | 1 | -5.41 | COC(=O)N | 5 |
| 1kll_ligand_1_1.mol2 | 1kll | 1 | -5.40 | COC(=O)N | 5 |
| 4imq_ligand_1_0.mol2 | 4imq | 1 | -5.39 | COC(=O)N | 5 |
| 2aux_ligand_1_4.mol2 | 2aux | 1 | -5.38 | NC(=O)OC | 5 |
161 ,
17
