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 |
|---|---|---|---|---|
| FDBD00190 | Ertapenem |
|
Anti-Bacterial Agents; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Carbapenems; | For the treatment the following moderate to severe infections caused by susceptible isolates of the designated microorganisms: (1) complicated intra-abdominal infections due to . |
| 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. |
| FDBD00304 | Triprolidine |
|
Anti-Allergic Agents; Histamine H1 Antagonists; Respiratory System; Antihistamines for Systemic Use; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the symptomatic relief of seasonal or perennial allergic rhinitis or nonallergic rhinitis; allergic conjunctivitis; and mild, uncomplicated allergic skin manifestations of urticaria and angioedema. Also used in combination with other agents for the symptomatic relief of symptoms associated with the common cold. |
| 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. |
| 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. |
| FDBD00624 | Meropenem |
|
Anti-Bacterial Agents; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Carbapenems; | For use as single agent therapy for the treatment of the following infections when caused by susceptible isolates of the designated microorganisms: . |
| FDBD00775 | Almotriptan |
|
Analgesics; Serotonin Antagonists; Serotonin Receptor Agonists; Anti-migraine Agents; Nervous System; Selective Serotonin (5Ht1) Agonists; Antimigraine Preparations; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of acute migraine headache in adults. |
| 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; |
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
