Common name
aniline
IUPAC name
aniline
SMILES
Nc1ccccc1
Common name
aniline
IUPAC name
aniline
SMILES
Nc1ccccc1
INCHI
InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
FORMULA
C6H7N
Common name
aniline
IUPAC name
aniline
Molecular weight
93.126
clogP
1.260
clogS
-1.189
Frequency
0.0247
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 |
|---|---|---|---|---|
| FDBD01088 | Bepridil |
|
Antihypertensive Agents; Anti-Arrhythmia Agents; Vasodilator Agents; Calcium Channel Blockers; Cardiovascular System; Phenylalkylamine Derivatives; Non-Selective Calcium Channel Blockers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of hypertension, and chronic stable angina (classic effort-associated angina). |
| FDBD01106 | Darunavir |
|
Protease Inhibitors; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; CYP3A4 Inhibitors; | Darunavir, co-administered with ritonavir, and with other antiretroviral agents, is indicated for the treatment of human immunodeficiency virus (HIV) infection in antiretroviral treatment-experienced adult patients, such as those with HIV-1 strains resistant to more than one protease inhibitor. |
| FDBD01123 | Sulfacytine |
|
Sulfonamides; | Used orally in the treatment of acute urinary tract infections. |
| FDBD01124 | Sulfadoxine |
|
Sulfadoxine is used in combination with pyrimethamine for the treatment or prevention of malaria. It can also be used to treat various infections in livestock as well. | |
| FDBD01127 | Fosamprenavir |
|
Anti-HIV Agents; Protease Inhibitors; HIV Protease Inhibitors; Prodrugs; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; CYP3A4 Inhibitors; | Indicated in combination with other antiretroviral agents for the treatment of human immunodeficiency virus (HIV-1) infection, as well as postexposure prophylaxis of HIV infection in individuals who have had occupational or nonoccupational exposure to potentially infectious body fluids of a person known to be infected with HIV when that exposure represents a substantial risk for HIV transmission. The use of fosamprenavir is pending revision due to a potential association between the drug and myocardial infarction and dyslipidemia in HIV infected adults. |
| FDBD01194 | Antrafenine |
|
; | Antrafenine is used as an anti-inflammatory and analgesic agent for the relief of mild to moderate pain. |
| FDBD01204 | Aprindine |
|
Anti-Arrhythmia Agents; Voltage-Gated Sodium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; Antiarrhythmics, Class Ib; CYP2D6 Inducers; CYP2D6 Inducers (strong); | |
| FDBD01234 | Sulfamerazine |
|
Anti-Bacterial Agents; Sulfonamides; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Dermatologicals; Sulfonamides and Trimethoprim; Long-Acting Sulfonamides; | A sulfanilamide that is used as an antibacterial agent. It can be used to treat bronchitis, prostatitis and urinary tract infections. |
| FDBD01235 | Sulfamethazine |
|
Antiprotozoal Agents; Anti-Infective Agents; Sulfonamides; Genito Urinary System and Sex Hormones; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antiparasitic Products, Insecticides and Repellents; Agents Against Protozoal Diseases; Short-Acting Sulfonamides; Sulfonamides and Trimethoprim; Antiinfectives and Antiseptics for Intrauterine Use; | For the treatment bacterial infections causing bronchitis, prostatitis and urinary tract infections. |
| FDBD01310 | Niflumic Acid |
|
Anti-Inflammatory Agents, Non-Steroidal; Cyclooxygenase Inhibitors; Musculo-Skeletal System; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Antiinflammatory Preparations, Non-Steroids for Topical Use; Topical Products for Joint and Muscular Pain; | Used in the treatment of rheumatoid arthritis. |
72 ,
8
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fui_ligand_1_3.mol2 | 3fui | 1 | -6.80 | c1ccc(cc1)N | 7 |
| 4l02_ligand_1_2.mol2 | 4l02 | 1 | -6.77 | Nc1ccccc1 | 7 |
| 4o2a_ligand_frag_2.mol2 | 4o2a | 1 | -6.76 | c1(ccccc1)N | 7 |
| 3ftw_ligand_1_0.mol2 | 3ftw | 1 | -6.75 | c1ccccc1N | 7 |
| 2vba_ligand_1_1.mol2 | 2vba | 1 | -6.74 | c1(ccccc1)N | 7 |
| 3ftv_ligand_1_0.mol2 | 3ftv | 1 | -6.74 | c1ccccc1N | 7 |
| 3ftz_ligand_frag_0.mol2 | 3ftz | 1 | -6.74 | Nc1ccccc1 | 7 |
| 1cx9_ligand_frag_0.mol2 | 1cx9 | 1 | -6.72 | c1cc(ccc1)N | 7 |
| 2hz0_ligand_1_6.mol2 | 2hz0 | 1 | -6.72 | c1ccccc1N | 7 |
| 4p72_ligand_1_3.mol2 | 4p72 | 1 | -6.71 | Nc1ccccc1 | 7 |
542 ,
55
