Common name
3-chloropyridine
IUPAC name
3-chloropyridine
SMILES
Clc1cccnc1
Common name
3-chloropyridine
IUPAC name
3-chloropyridine
SMILES
Clc1cccnc1
INCHI
InChI=1S/C5H4ClN/c6-5-2-1-3-7-4-5/h1-4H
FORMULA
C5H4ClN
Common name
3-chloropyridine
IUPAC name
3-chloropyridine
Molecular weight
113.545
clogP
2.145
clogS
-1.977
Frequency
0.0048
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
12.89
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00282 | Eszopiclone |
|
Hypnotics and Sedatives; Nervous System; Psycholeptics; Benzodiazepine Related Drugs; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; | For the treatment of insomnia. |
| FDBD01044 | Zopiclone |
|
Hypnotics and Sedatives; Nervous System; Psycholeptics; Benzodiazepine Related Drugs; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For the short-term treatment of insomnia. |
| FDBD01277 | Etoricoxib |
|
Musculo-Skeletal System; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Coxibs; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of rheumatoid arthritis, osteoarthritis, ankylosing spondylitis, chronic low back pain, acute pain and gout. |
| FDBD01659 | Edoxaban |
|
Factor Xa Inhibitors; | Edoxaban is indicated to reduce the risk of stroke and systemic embolism (SE) in patients with nonvalvular atrial fibrillation (NVAF). However, it should not be used in patients with creatinine clearance (CrCL) > 95 mL/min because of increased risk of ischemic stroke compared to warfarin at the highest dose studied (60 mg). It is also indicated for the treatment of deep vein thrombosis (DVT) and pulmonary embolism (PE) following 5-10 days of initial therapy with a parenteral anticoagulant. |
| FDBD01914 | chlorantraniliprole |
|
Insecticide | Insecticide |
| FDBD01915 | cyantraniliprole |
|
Insecticide | Insecticide |
| FDBD01916 | cyclaniliprole |
|
Insecticide | Insecticide |
| FDBD01919 | tetraniliprole |
|
Insecticide | Insecticide |
| FDBD01972 | chlorfluazuron |
|
Insecticide | Insecticide |
| FDBD02648 | haloxyfop |
|
Herbicide | Herbicide |
14 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1dtt_ligand_frag_0.mol2 | 1dtt | 1 | -6.48 | c1ncc(cc1)Cl | 7 |
| 1uys_ligand_frag_4.mol2 | 1uys | 1 | -6.47 | c1ncccc1Cl | 7 |
| 2xbv_ligand_frag_3.mol2 | 2xbv | 1 | -6.45 | c1ncc(cc1)Cl | 7 |
| 1mq6_ligand_frag_0.mol2 | 1mq6 | 1 | -6.43 | c1ncc(Cl)cc1 | 7 |
| 4g2r_ligand_frag_4.mol2 | 4g2r | 1 | -6.41 | c1ncccc1Cl | 7 |
| 3cen_ligand_frag_4.mol2 | 3cen | 1 | -6.40 | c1ccncc1Cl | 7 |
| 5bnj_ligand_frag_2.mol2 | 5bnj | 1 | -6.27 | c1c(cccn1)Cl | 7 |
| 1t1s_ligand_frag_3.mol2 | 1t1s | 1 | -6.17 | c1ncc(Cl)cc1 | 7 |
| 5ak6_ligand_frag_0.mol2 | 5ak6 | 1 | -6.13 | c1ccncc1Cl | 7 |
704 ,
71
