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 |
|---|---|---|---|---|
| FDBD00073 | Nicotine |
|
Ganglionic Stimulants; Nicotinic Agonists; Appetite Depressants; Autonomic Agents; Nervous System; Drugs Used in Nicotine Dependence; Drugs Used in Addictive Disorders; Ectoparasiticides for Topical Use, Incl. Insecticides; Ectoparaciticides, Insecticides and Repellents; Antiparasitic Products, Insecticides and Repellents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; 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; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For the relief of nicotine withdrawal symptoms and as an aid to smoking cessation. |
| FDBD00104 | Eletriptan |
|
Analgesics; Serotonin Antagonists; Serotonin Receptor Agonists; Anti-migraine Agents; Nervous System; Selective Serotonin (5Ht1) Agonists; Antimigraine Preparations; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the acute treatment of migraine with or without aura in adults. |
| FDBD00170 | Clemastine |
|
Anti-Allergic Agents; Antipruritics; Histamine H1 Antagonists; Respiratory System; Dermatologicals; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Antihistamines for Topical Use; Aminoalkyl Ethers; Antihistamines for Systemic Use; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the relief of symptoms associated with allergic rhinitis such as sneezing, rhinorrhea, pruritus and acrimation. Also for the management of mild, uncomplicated allergic skin manifestations of urticaria and angioedema. Used as self-medication for temporary relief of symptoms associated with the common cold. |
| 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. |
| 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. |
| FDBD00373 | Tolmetin |
|
Anti-Inflammatory Agents, Non-Steroidal; Cyclooxygenase Inhibitors; Musculo-Skeletal System; Acetic Acid Derivatives and Related Substances; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Antiinflammatory Preparations, Non-Steroids for Topical Use; Topical Products for Joint and Muscular Pain; | For the relief of signs and symptoms of rheumatoid arthritis and osteoarthritis, including the treatment of acute flares long-term management. Also for treatment of juvenile rheumatoid arthritis. |
| 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. |
| FDBD00759 | Methdilazine |
|
Histamine Antagonists; Respiratory System; Antihistamines for Systemic Use; Phenothiazine Derivatives; | Used for the symptomatic relief of hypersensitivity reactions and particularly for the control of pruritic skin disorders. |
| 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; |
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
