Common name
pyrrolidine
IUPAC name
pyrrolidine
SMILES
N1CCCC1
Common name
pyrrolidine
IUPAC name
pyrrolidine
SMILES
N1CCCC1
INCHI
InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2
FORMULA
C4H9N
Common name
pyrrolidine
IUPAC name
pyrrolidine
Molecular weight
71.121
clogP
1.550
clogS
-0.899
Frequency
0.0072
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
12.03
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| 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. |
| 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. |
| FDBD01388 | Doripenem |
|
Doripenem is indicated in the treatment of complicated intra-abdominal infections and complicated urinary tract infections, including pyelonephritis, caused by designated susceptible bacteria. | |
| FDBD01395 | Avanafil |
|
Genito Urinary System and Sex Hormones; Drugs Used in Erectile Dysfunction; Urological Agents; CYP3A4 Inhibitors; | Treatment of erectile dysfunction in males. |
| 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. |
| 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. |
| FDBD01793 | Ombitasvir |
|
Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; | For use in combination with paritaprevir, ritonavir and dasabuvir for the treatment of HCV genotype 1, and with paritaprevir and ritonavir for the treatment of HCV genotype 4. |
| FDBD01826 | Acrivastine |
|
Respiratory System; Antihistamines for Systemic Use; | For the relief of symptoms associated with seasonal allergic rhinitis such as sneezing, rhinorrhea, pruritus, lacrimation, and nasal congestion. |
21 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1wm1_ligand_frag_0.mol2 | 1wm1 | 1 | -6.19 | [NH2+]1CCCC1 | 5 |
| 1nj5_ligand_frag_0.mol2 | 1nj5 | 1 | -6.15 | C1CC[NH2+]C1 | 5 |
| 4nvq_ligand_frag_0.mol2 | 4nvq | 1 | -6.14 | [NH2+]1CCCC1 | 5 |
| 3fh5_ligand_frag_5.mol2 | 3fh5 | 1 | -6.11 | C1CCC[NH2+]1 | 5 |
| 3fun_ligand_frag_6.mol2 | 3fun | 1 | -6.11 | C1[NH2+]CCC1 | 5 |
| 2fxr_ligand_frag_6.mol2 | 2fxr | 1 | -6.10 | C1CC[NH2+]C1 | 5 |
| 3fui_ligand_frag_0.mol2 | 3fui | 1 | -6.06 | C1[NH2+]CCC1 | 5 |
| 3fh8_ligand_frag_0.mol2 | 3fh8 | 1 | -6.02 | C1CCC[NH2+]1 | 5 |
177 ,
18
