Common name
piperidine
IUPAC name
piperidine
SMILES
N1CCCCC1
Common name
piperidine
IUPAC name
piperidine
SMILES
N1CCCCC1
INCHI
InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2
FORMULA
C5H11N
Common name
piperidine
IUPAC name
piperidine
Molecular weight
85.148
clogP
1.751
clogS
-1.211
Frequency
0.0199
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 |
|---|---|---|---|---|
| FDBD00183 | Ropivacaine |
|
Anesthetics, Local; Anesthetics; Nervous System; Amides; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | Used in obstetric anesthesia and regional anesthesia for surgery. |
| FDBD00184 | Bupivacaine |
|
Anesthetics, Local; Anesthetics; Nervous System; Amides; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the production of local or regional anesthesia or analgesia for surgery, for oral surgery procedures, for diagnostic and therapeutic procedures, and for obstetrical procedures. |
| FDBD00234 | Minoxidil |
|
Antihypertensive Agents; Vasodilator Agents; Dermatologicals; Cardiovascular System; Arteriolar Smooth Muscle, Agents Acting On; Pyrimidine Derivatives; | For the treatment of severe hypertension and in the topical treatment (regrowth) of androgenic alopecia in males and females and stabilisation of hair loss in patients with androgenic alopecia. |
| FDBD00242 | Mefloquine |
|
Antimalarials; Antiprotozoal Agents; Antiparasitic Products, Insecticides and Repellents; Methanolquinolines; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment of mild to moderate acute malaria caused by Mefloquineuine-susceptible strains of . |
| FDBD00258 | Trihexyphenidyl |
|
Antiparkinson Agents; Muscarinic Antagonists; Antidyskinetics; Nervous System; Anti-Parkinson Drugs; Anticholinergics; Tertiary Amines; | Indicated for the treatment of parkinson's disease and extrapyramidal reactions caused by drugs. |
| FDBD00299 | Methylphenidate |
|
Central Nervous System Stimulants; Dopamine Uptake Inhibitors; Nervous System; Psychoanaleptics; Centrally Acting Sympathomimetics; Psychostimulants, Agents Used for Adhd and Nootropics; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For use as an integral part of a total treatment program which typically includes other remedial measures (psychological, educational, social) for a stabilizing effect in children with a behavioral syndrome characterized by the following group of developmentally inappropriate symptoms: moderate-to-severe distractibility, short attention span, hyperactivity, emotional lability, and impulsivity. |
| FDBD00354 | Raloxifene |
|
Bone Density Conservation Agents; Estrogen Antagonists; Selective Estrogen Receptor Modulators; Antihypocalcemic Agents; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP3A4 Inhibitors; | For the prevention and treatment of osteoporosis in post-menopausal women, as well as prevention and treatment of corticosteroid-induced bone loss. Also for the reduction in the incidence of invasive breast cancer in postmenopausal women with osteoporosis or have a high risk for developing breast cancer. |
| FDBD00469 | Cisapride |
|
Gastrointestinal Agents; Anti-Ulcer Agents; Serotonin Receptor Agonists; Prokinetic Agents; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Propulsives; 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); CYP3A4 Inhibitors; | For the symptomatic treatment of adult patients with nocturnal heartburn due to gastroesophageal reflux disease. |
| FDBD00502 | Astemizole |
|
Anti-Allergic Agents; Histamine H1 Antagonists, Non-Sedating; Histamine Antagonists; Respiratory System; Antihistamines for Systemic Use; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Astemizole was indicated for use in the relieving allergy symptoms, particularly rhinitis and conjunctivitis. It has been withdrawn from the market however due to concerns of arrhythmias. |
| FDBD00510 | Dyclonine |
|
Anesthetics, Local; Anesthetics; Respiratory System; Throat Preparations; Nervous System; | Used to provide topical anesthesia of accessible mucous membranes prior to examination, endoscopy or instrumentation, or other procedures involving the esophagus, larynx, mouth, pharynx or throat, respiratory tract or trachea, urinary tract, or vagina. Also used to suppress the gag reflex and/or other laryngeal and esophageal reflexes to facilitate dental examination or procedures (including oral surgery), endoscopy, or intubation. Also used for relief of canker sores, cold sores or fever blister. |
58 ,
6
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2iog_ligand_frag_11.mol2 | 2iog | 1 | -6.32 | [NH2+]1CCCCC1 | 6 |
| 3juo_ligand_frag_1.mol2 | 3juo | 1 | -6.31 | C1C[NH2+]CCC1 | 6 |
| 3juq_ligand_frag_1.mol2 | 3juq | 1 | -6.31 | C1C[NH2+]CCC1 | 6 |
| 3jup_ligand_frag_1.mol2 | 3jup | 1 | -6.30 | C1C[NH2+]CCC1 | 6 |
| 1b8y_ligand_frag_1.mol2 | 1b8y | 1 | -6.28 | C1CCC[NH2+]C1 | 6 |
| 1ciz_ligand_frag_0.mol2 | 1ciz | 1 | -6.28 | [NH2+]1CCCCC1 | 6 |
| 4ow0_ligand_frag_3.mol2 | 4ow0 | 1 | -6.27 | C1CC[NH2+]CC1 | 6 |
| 1caq_ligand_frag_0.mol2 | 1caq | 1 | -6.26 | [NH2+]1CCCCC1 | 6 |
| 4mm4_ligand_frag_2.mol2 | 4mm4 | 1 | -6.26 | C1CCCC[NH2+]1 | 6 |
301 ,
31
