Common name
1-methylpyrrolidine
IUPAC name
1-methylpyrrolidine
SMILES
N1(CCCC1)C
Common name
1-methylpyrrolidine
IUPAC name
1-methylpyrrolidine
SMILES
N1(CCCC1)C
INCHI
InChI=1S/C5H11N/c1-6-4-2-3-5-6/h2-5H2,1H3
FORMULA
C5H11N
Common name
1-methylpyrrolidine
IUPAC name
1-methylpyrrolidine
Molecular weight
85.148
clogP
1.232
clogS
-0.604
Frequency
0.0076
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
3.24
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00940 | Pentolinium |
|
Antihypertensive Agents; Nicotinic Antagonists; Ganglionic Blockers; | Used to produce controlled hypotension during surgical procedures and in hypertensive crises. |
| FDBD01036 | Clindamycin |
|
Anti-Bacterial Agents; Protein Synthesis Inhibitors; Anti-Acne Preparations; Antibiotics; Genito Urinary System and Sex Hormones; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Dermatologicals; Gynecological Antiinfectives and Antiseptics; Anti-Acne Preparations for Topical Use; Antiinfectives for Treatment of Acne; Macrolides, Lincosamides and Streptogramins; Lincosamides; CYP3A4 Inhibitors; | For the treatment of serious infections caused by susceptible anaerobic bacteria, including Bacteroides spp., Peptostreptococcus, anaerobic streptococci, Clostridium spp., and microaerophilic streptococci. May be useful in polymicrobic infections such as intra-abdominal or pelvic infections, osteomyelitis, diabetic foot ulcers, aspiration pneumonia and dental infections. May also be used to treat MSSA and respiratory infections caused by S. pneumoniae and S. pyogenes in patients who are intolerant to other indicated antibiotics or who are infected with resistant organism. May be used vaginally to treat vaginosis caused by Gardnerella vaginosa. Clindamycin reduces the toxin producing effects of S. aureus and S. pyogenes and as such, may be particularly useful for treating necrotizing fasciitis. May be used topically to treat acne. |
| 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). |
| FDBD01125 | Rolitetracycline |
|
Anti-Bacterial Agents; Tetracyclines; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; CYP3A4 Inhibitors; | Rolitetracycline is a broad-spectrum antibiotic used in cases needing high concentrations or when oral administration is impractical. |
| FDBD01189 | Cefepime |
|
Anti-Bacterial Agents; Cephalosporins; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Fourth-Generation Cephalosporins; | For the treatment of pneumonia (moderate to severe) caused by . |
| FDBD01200 | Alizapride |
|
Antiemetics; Prokinetic Agents; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Propulsives; | Alizapride is used in the treatment of nausea and vomiting, including postoperative nausea and vomiting. |
| FDBD01276 | Lincomycin |
|
Anti-Bacterial Agents; Protein Synthesis Inhibitors; Antibiotics; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Macrolides, Lincosamides and Streptogramins; Antibacterials for Intramammary Use; Lincosamides; | Lincomycin is an antibiotic used in the treatment of staphylococcal, streptococcal, and . |
| FDBD01400 | Udenafil |
|
Genito Urinary System and Sex Hormones; Drugs Used in Erectile Dysfunction; Urological Agents; CYP3A4 Inhibitors; | Investigated for use/treatment in erectile dysfunction and hypertension. |
| 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. |
| FDBD01754 | Barnidipine |
|
Calcium Channel Blockers; Cardiovascular System; Dihydropyridine Derivatives; Selective Calcium Channel Blockers With Mainly Vascular Effects; | For the treatment of hypertension and chronic stable angina. |
22 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4bg1_ligand_1_1.mol2 | 4bg1 | 1 | -6.37 | C1CCC[N+]1(C)C | 7 |
| 1uw6_ligand_frag_1.mol2 | 1uw6 | 1 | -6.26 | [NH+]1(CCCC1)C | 6 |
| 2yk1_ligand_frag_1.mol2 | 2yk1 | 1 | -6.26 | [NH+]1(CCCC1)C | 6 |
| 4nvq_ligand_1_0.mol2 | 4nvq | 1 | -6.21 | [NH+]1(CCCC1)C | 6 |
| 4bg1_ligand_frag_0.mol2 | 4bg1 | 1 | -6.20 | C1CCC[NH+]1C | 6 |
| 5am0_ligand_frag_1.mol2 | 5am0 | 1 | -6.14 | C1CCC[NH+]1C | 6 |
| 2y5f_ligand_2_18.mol2 | 2y5f | 1 | -6.13 | C[N+]1(C)CCCC1 | 7 |
| 3fuj_ligand_1_0.mol2 | 3fuj | 1 | -6.12 | C1CCC[NH+]1C | 6 |
| 3fh8_ligand_1_0.mol2 | 3fh8 | 1 | -6.11 | C[NH+]1CCCC1 | 6 |
101 ,
11
