Common name
1-ethylpyrrolidine
IUPAC name
1-ethylpyrrolidine
SMILES
CCN1CCCC1
Common name
1-ethylpyrrolidine
IUPAC name
1-ethylpyrrolidine
SMILES
CCN1CCCC1
INCHI
InChI=1S/C6H13N/c1-2-7-5-3-4-6-7/h2-6H2,1H3
FORMULA
C6H13N
Common name
1-ethylpyrrolidine
IUPAC name
1-ethylpyrrolidine
Molecular weight
99.174
clogP
1.450
clogS
-1.037
Frequency
0.0027
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
3.24
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00267 | Procyclidine |
|
Antiparkinson Agents; Muscarinic Antagonists; Antidyskinetics; Nervous System; Anti-Parkinson Drugs; Anticholinergics; Tertiary Amines; | For the treatment of all forms of Parkinson's Disease, as well as control of extrapyramidal reactions induced by antipsychotic agents. |
| FDBD00271 | Sulpiride |
|
Antidepressive Agents, Second-Generation; Antipsychotic Agents; Dopamine Antagonists; Antidepressive Agents; Nervous System; Psycholeptics; Benzamides; | Sulpiride is indicated for the treatment of schizophrenia. |
| FDBD00288 | Remoxipride |
|
Antipsychotic Agents; Dopamine Antagonists; Nervous System; Psycholeptics; Benzamides; CYP2D6 Inducers; CYP2D6 Inducers (strong); | Remoxipride is an atypical antipsychotic once used for the treatment of schizophrenia. |
| FDBD00369 | Darifenacin |
|
Muscarinic Antagonists; Antispasmodic Agents; Genito Urinary System and Sex Hormones; Drugs for Urinary Frequency and Incontinence; Urological Agents; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of overactive bladder with symptoms of urge urinary incontinence, urgency and frequency. |
| FDBD00927 | Atorvastatin |
|
Anticholesteremic Agents; Hydroxymethylglutaryl-CoA Reductase Inhibitors; Dipeptidyl-Peptidase IV Inhibitors; HMG CoA Reductase Inhibitors; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 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); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | |
| 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). |
| FDBD01405 | Amisulpride |
|
Antipsychotic Agents; Dopamine Antagonists; Nervous System; Psycholeptics; Benzamides; | Investigated for use/treatment in schizophrenia and schizoaffective disorders, mania in bipolar disorder, and depression. |
| FDBD01640 | Eliglustat |
|
Enzyme Inhibitors; Alimentary Tract and Metabolism; Various Alimentary Tract and Metabolism Products; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | Eliglustat is indicated for the long-term treatment of type 1 Gaucher disease in patients who are CYP2D6 extensive metabolizers (EMs), intermediate metabolizers (IMs), or poor metabolizers (PMs) in treatment-naive and treatment-experienced adult patients. |
8 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4bg1_ligand_2_0.mol2 | 4bg1 | 1 | -6.69 | CC[N+]1(CCCC1)C | 8 |
| 1xpc_ligand_2_14.mol2 | 1xpc | 1 | -6.56 | CC(C)[NH+]1CCCC1 | 8 |
| 1xp9_ligand_2_14.mol2 | 1xp9 | 1 | -6.50 | [NH+]1(CCCC1)C(C)C | 8 |
| 4nvq_ligand_2_3.mol2 | 4nvq | 1 | -6.50 | [NH+]1(CCCC1)CC | 7 |
| 3fuj_ligand_2_0.mol2 | 3fuj | 1 | -6.46 | CC[NH+]1CCCC1 | 7 |
| 3fh8_ligand_2_0.mol2 | 3fh8 | 1 | -6.44 | CC[NH+]1CCCC1 | 7 |
| 3fum_ligand_2_14.mol2 | 3fum | 1 | -6.39 | C(C)[NH+]1CCCC1 | 7 |
| 3fh7_ligand_2_25.mol2 | 3fh7 | 1 | -6.38 | C1CCC[NH+]1CC | 7 |
| 3ful_ligand_2_14.mol2 | 3ful | 1 | -6.36 | CC[NH+]1CCCC1 | 7 |
161 ,
17
