Common name
morpholine
IUPAC name
morpholine
SMILES
O1CCNCC1
Common name
morpholine
IUPAC name
morpholine
SMILES
O1CCNCC1
INCHI
InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2
FORMULA
C4H9NO
Common name
morpholine
IUPAC name
morpholine
Molecular weight
87.120
clogP
1.241
clogS
-0.677
Frequency
0.0082
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
21.26
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00122 | Reboxetine |
|
Nervous System; Antidepressants; Psychoanaleptics; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of clinical depression. |
| 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. |
| FDBD00255 | Timolol |
|
Antihypertensive Agents; Anti-Arrhythmia Agents; Adrenergic beta-Antagonists; Ophthalmologicals; Sensory Organs; Cardiovascular System; Beta Blocking Agents; Antiglaucoma Preparations and Miotics; Beta Blocking Agents and Thiazides; Beta Blocking Agents, Non-Selective; Beta Blocking Agents, Non-Selective, and Thiazides; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | In its oral form it is used to treat high blood pressure and prevent heart attacks, and occasionally to prevent migraine headaches. In its opthalmic form it is used to treat open-angle and occasionally secondary glaucoma. |
| 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. |
| FDBD00466 | Linezolid |
|
Anti-Bacterial Agents; Protein Synthesis Inhibitors; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; | For the treatment of bacterial infections caused by susceptible strains of vancomycin resistant . |
| 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. |
| FDBD00592 | Rocuronium |
|
Muscle Relaxants, Skeletal; Musculo-Skeletal System; Muscle Relaxants; Muscle Relaxants, Peripherally Acting Agents; Antiemetics Antagonists; | For inpatients and outpatients as an adjunct to general anesthesia to facilitate both rapid sequence and routine tracheal intubation, and to provide skeletal muscle relaxation during surgery or mechanical ventilation. |
| FDBD00667 | Minaprine |
|
Antidepressive Agents; Nervous System; Antidepressants; Psychoanaleptics; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of depression. |
24 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4uwh_ligand_frag_2.mol2 | 4uwh | 1 | -5.88 | C1COCC[NH2+]1 | 6 |
| 4uwf_ligand_frag_2.mol2 | 4uwf | 1 | -5.86 | C1COCC[NH2+]1 | 6 |
| 2wxl_ligand_frag_0.mol2 | 2wxl | 1 | -5.85 | C1COCC[NH2+]1 | 6 |
| 4bfr_ligand_frag_1.mol2 | 4bfr | 1 | -5.84 | [NH2+]1CCOCC1 | 6 |
| 4urk_ligand_frag_1.mol2 | 4urk | 1 | -5.81 | [NH2+]1CCOCC1 | 6 |
| 4f6u_ligand_frag_6.mol2 | 4f6u | 1 | -5.78 | [NH2+]1CCOCC1 | 6 |
| 4l23_ligand_frag_1.mol2 | 4l23 | 1 | -5.78 | [NH2+]1CCOCC1 | 6 |
| 3apc_ligand_frag_0.mol2 | 3apc | 1 | -5.77 | C1COCC[NH2+]1 | 6 |
165 ,
17
