Common name
3-(methylamino)propan-1-ol
IUPAC name
3-(methylamino)propan-1-ol
SMILES
C(CO)CNC
Common name
3-(methylamino)propan-1-ol
IUPAC name
3-(methylamino)propan-1-ol
SMILES
C(CO)CNC
INCHI
InChI=1S/C4H11NO/c1-5-3-2-4-6/h5-6H,2-4H2,1H3
FORMULA
C4H11NO
Common name
3-(methylamino)propan-1-ol
IUPAC name
3-(methylamino)propan-1-ol
Molecular weight
89.136
clogP
-0.191
clogS
-0.859
Frequency
0.0021
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
32.26
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00176 | Atomoxetine |
|
Adrenergic Uptake Inhibitors; Antidepressive Agents; Nervous System; Psychoanaleptics; Centrally Acting Sympathomimetics; Psychostimulants, Agents Used for Adhd and Nootropics; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of Attention-Deficit/Hyperactivity Disorder (ADHD) alone or in combination with behavioral treatment, as an adjunct to psychological, educational, social, and other remedial measures. |
| FDBD00345 | Fluoxetine |
|
Antidepressive Agents, Second-Generation; Serotonin Uptake Inhibitors; Serotonin Agents; Nervous System; Antidepressants; Psychoanaleptics; Selective Serotonin Reuptake 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; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Labeled indication include: major depressive disorder (MDD), moderate to severe bulimia nervosa, obsessive-compulsive disorder (OCD), premenstrual dysphoric disorder (PMDD), panic disorder with or without agoraphobia, and combination treatment with olanzapine for treatment-resistant or bipolar I depression. Unlabeled indications include: selective mutism, mild dementia-associated agitation in nonpsychotic patients, post-traumatic stress disorder (PTSD), social anxiety disorder, chronic neuropathic pain, fibromyalgia, and Raynaud's phenomenon. |
| FDBD00349 | Duloxetine |
|
Dopamine Agents; Analgesics; Antidepressive Agents; Nervous System; Antidepressants; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Serotonin and Noradrenaline Reuptake Inhibitors; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the acute and maintenance treatment of major depressive disorder (MDD), as well as acute management of generalized anxiety disorder. Also used for the management of neuropathic pain associated with diabetic peripheral neuropathy, and fibromyalgia. Has been used in the management of moderate to severe stress urinary incontinence (SUI) in women. |
| FDBD01064 | Halofantrine |
|
Antimalarials; Antiprotozoal Agents; Antiparasitic Products, Insecticides and Repellents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For treatment of Severe malaria. |
| FDBD01088 | Bepridil |
|
Antihypertensive Agents; Anti-Arrhythmia Agents; Vasodilator Agents; Calcium Channel Blockers; Cardiovascular System; Phenylalkylamine Derivatives; Non-Selective Calcium Channel Blockers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of hypertension, and chronic stable angina (classic effort-associated angina). |
| FDBD01333 | Dronedarone |
|
Anti-Arrhythmia Agents; Adrenergic alpha-1 Receptor Antagonists; Cardiovascular System; Antiarrhythmics, Class III; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Management of paroxysmal or persistent atrial fibrillation via restoration of normal sinus rhythm. |
6 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fhe_ligand_5_120.mol2 | 3fhe | 1 | -5.73 | C[NH+](CCCO)C | 7 |
| 4mm6_ligand_4_1.mol2 | 4mm6 | 1 | -5.58 | OCCC[NH2+]C | 6 |
| 3ipq_ligand_6_1254.mol2 | 3ipq | 1 | -5.55 | C(CO)C[NH+](C)C | 7 |
| 3fhe_ligand_4_111.mol2 | 3fhe | 1 | -5.54 | C([NH2+]C)CCO | 6 |
| 1pq6_ligand_6_1254.mol2 | 1pq6 | 1 | -5.50 | C[NH+](C)CCCO | 7 |
| 4mm8_ligand_3_17.mol2 | 4mm8 | 1 | -5.48 | C(C[NH2+]C)CO | 6 |
| 3ipq_ligand_5_825.mol2 | 3ipq | 1 | -5.43 | C(O)CC[NH2+]C | 6 |
| 1pq6_ligand_5_826.mol2 | 1pq6 | 1 | -5.39 | OCCC[NH2+]C | 6 |
| 1pq6_ligand_5_825.mol2 | 1pq6 | 1 | -5.38 | OCCC[NH2+]C | 6 |
137 ,
14
