Common name
4-methylmorpholine
IUPAC name
4-methylmorpholine
SMILES
O1CCN(CC1)C
Common name
4-methylmorpholine
IUPAC name
4-methylmorpholine
SMILES
O1CCN(CC1)C
INCHI
InChI=1S/C5H11NO/c1-6-2-4-7-5-3-6/h2-5H2,1H3
FORMULA
C5H11NO
Common name
4-methylmorpholine
IUPAC name
4-methylmorpholine
Molecular weight
101.147
clogP
0.938
clogS
-0.376
Frequency
0.0052
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
12.47
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00203 | Gefitinib |
|
Antineoplastic Agents; Protein Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the continued treatment of patients with locally advanced or metastatic non-small cell lung cancer after failure of either platinum-based or docetaxel chemotherapies. |
| FDBD00428 | Doxapram |
|
Central Nervous System Stimulants; Respiratory System Agents; Respiratory System; Respiratory Stimulants; | For use as a temporary measure in hospitalized patients with acute respiratory insufficiency superimposed on chronic obstructive pulmonary disease. |
| FDBD00538 | Aprepitant |
|
Antiemetics; Alimentary Tract and Metabolism; Antiemetics and Antinauseants; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP3A4 Inhibitors; Neurokinin-1 Receptor Antagonists; | For the prevention of nausea and vomiting associated with highly emetogenic cancer chemotherapy, including high-dose cisplatin (in combination with other antiemetic agents). |
| 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. |
| FDBD00553 | Mycophenolate mofetil |
|
Immunosuppressive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; | For the prophylaxis of organ rejection in patients receiving allogeneic renal, cardiac or hepatic transplants. Mycophenolate mofetil should be used concomitantly with cyclosporine and corticosteroids. |
| FDBD00667 | Minaprine |
|
Antidepressive Agents; Nervous System; Antidepressants; Psychoanaleptics; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of depression. |
| FDBD01017 | Moclobemide |
|
Antidepressive Agents; Monoamine Oxidase Inhibitors; Nervous System; Antidepressants; Psychoanaleptics; Monoamine Oxidase a Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of depression. |
| FDBD01267 | Molindone |
|
Antipsychotic Agents; Nervous System; Psycholeptics; Indole Derivatives; | Molindone is used for the management of the manifestations of psychotic disorders. |
| FDBD01457 | Fosaprepitant |
|
Antiemetics; Neurokinin-1 Receptor Antagonists; | For the prevention of nausea and vomiting associated with highly emetogenic cancer chemotherapy. |
| FDBD01652 | Cobicistat |
|
Anti-HIV Agents; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP3A Inhibitors; CYP2D6 Inducers; CYP2D6 Inducers (strong); | Cobicistat is a CYP3A inhibitor indicated to increase systemic exposure of atazanavir or darunavir (once daily dosing regimen) in combination with other antiretroviral agents in the treatment of HIV-1 infection. It is not interchangeable with ritonavir to increase systemic exposure of darunavir 600 mg twice daily, fosamprenavir, saquinavir, or tipranavir due to lack of exposure data. The use of cobicistat is not recommended with darunavir 600 mg twice daily, fosamprenavir, saquinavir or tipranavir. Complex or unknown mechanisms of drug interactions preclude extrapolation of ritonavir drug interactions to certain cobicistat interactions. Cobicistat and ritonavir when administered with either atazanavir or darunavir may result in different drug interactions when used with concomitant medications. |
15 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4f6u_ligand_1_5.mol2 | 4f6u | 1 | -5.94 | C[NH+]1CCOCC1 | 7 |
| 3hv6_ligand_1_0.mol2 | 3hv6 | 1 | -5.71 | C[NH+]1CCOCC1 | 7 |
| 1kv2_ligand_1_6.mol2 | 1kv2 | 1 | -5.69 | C[NH+]1CCOCC1 | 7 |
| 4f70_ligand_1_4.mol2 | 4f70 | 1 | -5.58 | [NH+]1(CCOCC1)C | 7 |
| 1a7t_ligand_1_0.mol2 | 1a7t | 1 | -5.53 | C[NH+]1CCOCC1 | 7 |
| 3fzs_ligand_1_6.mol2 | 3fzs | 1 | -5.42 | C[NH+]1CCOCC1 | 7 |
| 1fq4_ligand_1_13.mol2 | 1fq4 | 1 | -5.41 | O1CC[NH+](CC1)C | 7 |
104 ,
11
