Common name
2,6-dichloroaniline
IUPAC name
2,6-dichloroaniline
SMILES
Clc1c(c(ccc1)Cl)N
Common name
2,6-dichloroaniline
IUPAC name
2,6-dichloroaniline
SMILES
Clc1c(c(ccc1)Cl)N
INCHI
InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
FORMULA
C6H5Cl2N
Common name
2,6-dichloroaniline
IUPAC name
2,6-dichloroaniline
Molecular weight
162.017
clogP
2.427
clogS
-2.806
Frequency
0.0010
HBond Acceptor
0
HBond Donor
2
Total PolarSurface Area
26.02
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00441 | Clonidine |
|
Antihypertensive Agents; Sympatholytics; Analgesics; Adrenergic alpha-2 Receptor Agonists; Ophthalmologicals; Sensory Organs; Nervous System; Cardiovascular System; Antiglaucoma Preparations and Miotics; Antiadrenergic Agents, Centrally Acting; Antimigraine Preparations; Sympathomimetics in Glaucoma Therapy; Imidazoline Receptor Agonists; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Alpha2 Agonists; | May be used as an adjunct in the treatment of hypertension, as an epidural infusion as an adjunct treatment in the management of severe cancer pain that is not relieved by opiate analgesics alone, for differential diagnosis of pheochromocytoma in hypertensive patients, prophylaxis of vascular migraine headaches, treatment of severe dysmenorrhea, management of vasomotor symptoms associated with menopause, rapid detoxification in the management of opiate withdrawal, treatment of alcohol withdrawal used in conjunction with benzodiazepines, management of nicotine dependence, topical use to reduce intraocular pressure in the treatment of open-angle and secondary glaucoma and hemorrhagic glaucoma associated with hypertension, and in the treatment of attention-deficit hyperactivity disorder (ADHD). |
| FDBD00451 | Diclofenac |
|
Anti-Inflammatory Agents; Anti-Inflammatory Agents, Non-Steroidal; Cyclooxygenase Inhibitors; Ophthalmologicals; Sensory Organs; Musculo-Skeletal System; Dermatologicals; 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; 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; CYP2B6 Inhibitors (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For the acute and chronic treatment of signs and symptoms of osteoarthritis and rheumatoid arthritis. |
| FDBD01183 | Clenbuterol |
|
Sympathomimetics; Bronchodilator Agents; Adrenergic beta-Agonists; Respiratory System; Drugs for Obstructive Airway Diseases; Genito Urinary System and Sex Hormones; Selective Beta-2-Adrenoreceptor Agonists; Adrenergics, Inhalants; Adrenergics for Systemic Use; Sympathomimetics, Labour Repressants; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Beta2 Agonists; | Used as a bronchodilator in the treatment of asthma patients. |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fse_ligand_frag_1.mol2 | 4fse | 1 | -6.91 | c1ccc(c(c1Cl)N)Cl | 9 |
| 4xta_ligand_1_0.mol2 | 4xta | 1 | -6.74 | Nc1c(cccc1Cl)Cl | 9 |
| 1zge_ligand_frag_1.mol2 | 1zge | 1 | -6.53 | c1cc(Cl)c(c(Cl)c1)N | 9 |
| 2b17_ligand_1_0.mol2 | 2b17 | 1 | -6.30 | c1c(Cl)c(c(Cl)cc1)N | 9 |
| 4otw_ligand_1_5.mol2 | 4otw | 0.956522 | -6.70 | Clc1cc(Cl)c(cc1)N | 9 |
| 1nhw_ligand_1_0.mol2 | 1nhw | 0.956522 | -6.62 | c1c(Cl)cc(Cl)c(c1)N | 9 |
| 4bo5_ligand_1_0.mol2 | 4bo5 | 0.909091 | -6.94 | Clc1ccccc1N | 8 |
| 2b1p_ligand_1_3.mol2 | 2b1p | 0.909091 | -6.88 | Nc1c(cccc1)Cl | 8 |
| 2zm1_ligand_1_0.mol2 | 2zm1 | 0.909091 | -6.82 | Clc1c(cccc1)N | 8 |
106 ,
11
