Common name
2-chloroaniline
IUPAC name
2-chloroaniline
SMILES
Nc1c(cccc1)Cl
Common name
2-chloroaniline
IUPAC name
2-chloroaniline
SMILES
Nc1c(cccc1)Cl
INCHI
InChI=1S/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
FORMULA
C6H6ClN
Common name
2-chloroaniline
IUPAC name
2-chloroaniline
Molecular weight
127.572
clogP
1.823
clogS
-2.008
Frequency
0.0021
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 |
|---|---|---|---|---|
| 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. |
| FDBD01077 | Metoclopramide |
|
Antiemetics; Dopamine Antagonists; Prokinetic Agents; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Propulsives; Dopamine D2 Receptor Antagonists; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of gastroesophageal reflux disease (GERD). It is also used in treating nausea and vomiting, and to increase gastric emptying. |
| FDBD01661 | Lenvatinib |
|
Antineoplastic Agents; Protein Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; CYP3A4 Inhibitors; | Lenvatinib is indicated for the treatment of patients with locally recurrent or metastatic, progressive, radioactive iodine-refractory differentiated thyroid cancer. |
| FDBD02270 | tau-fluvalinate |
|
Insecticide | Insecticide |
| FDBD02886 | rhodethanil |
|
Herbicide | Herbicide |
| FDBD03182 | drazoxolon |
|
Fungicide | Fungicide |
6 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4bo5_ligand_1_0.mol2 | 4bo5 | 1 | -6.94 | Clc1ccccc1N | 8 |
| 2b1p_ligand_1_3.mol2 | 2b1p | 1 | -6.88 | Nc1c(cccc1)Cl | 8 |
| 2zm1_ligand_1_0.mol2 | 2zm1 | 1 | -6.82 | Clc1c(cccc1)N | 8 |
| 3itz_ligand_1_4.mol2 | 3itz | 1 | -6.78 | c1cccc(Cl)c1N | 8 |
| 4bnx_ligand_1_0.mol2 | 4bnx | 1 | -6.66 | Clc1ccccc1N | 8 |
| 3hp9_ligand_1_2.mol2 | 3hp9 | 1 | -6.52 | Nc1c(Cl)cccc1 | 8 |
668 ,
67
