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 |
|---|---|---|---|---|
| FDBD01418 | Prucalopride |
|
Alimentary Tract and Metabolism; Drugs for Constipation; | Investigated for use/treatment in constipation, ileus, and pediatric indications. |
| FDBD01441 | Dexmethylphenidate |
|
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); | Dexmethylphenidate is used as a treatment for ADHD, ideally in conjunction with psychological, educational, behavioral or other forms of treatment. |
| FDBD01514 | Pipazethate |
|
Antitussive Agents; Cough and Cold Preparations; Respiratory System; | For the treatment of cough. |
| FDBD01523 | Roxatidine acetate |
|
Anti-Ulcer Agents; Alimentary Tract and Metabolism; Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Drugs for Acid Related Disorders; H2 Antagonists; | For the treatment of disorders of the upper gastro-intestinal region that are due to an excess of hydrochloric acid in the gastric juice, i.e. duodenal ulcers, benign gastric ulcers. Also for prophylaxis of recurrent gastric and duodenal ulcers. |
| FDBD01526 | Cinitapride |
|
; | For the treatment of gastrointestinal disorders associated with motility disturbances such as gastroesophageal reflux disease, non-ulcer dyspepsia and delayed gastric emptying. |
| FDBD01537 | Lomitapide |
|
Hypolipidemic Agents; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; CYP3A4 Inhibitors; | Used in homozygous familial hypercholesterolemia (HoFH) patients to reduce low-density lipoprotein cholesterol (LDL-C), total cholesterol (TC), apolipoprotein B (apo B), and non-high-density lipoprotein cholesterol (non-HDL-C). |
| FDBD01545 | Crizotinib |
|
Antineoplastic Agents; Protein Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Crizotinib is used for the treatment of locally advanced or metastatic non-small cell lung cancer (NSCLC) that is anaplastic-lymphoma kinase (ALK)-positive as detected by a FDA-approved test. |
| FDBD01591 | Ifenprodil |
|
Cardiovascular System; Peripheral Vasodilators; | |
| FDBD01606 | Etozoline |
|
; | |
| FDBD01612 | Eperisone |
|
Musculo-Skeletal System; Muscle Relaxants, Centrally Acting Agents; Muscle Relaxants; |
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
