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 |
|---|---|---|---|---|
| FDBD01354 | Ezogabine |
|
Anticonvulsants; Nervous System; Antiepileptics; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); | Adjuvant treatment of partial-onset seizures. |
| FDBD01361 | Silver sulfadiazine |
|
Anti-Bacterial Agents; Anti-Infective Agents, Local; Sulfonamides; Antibiotics, Topical; Dermatologicals; | Indicated as an adjunct for the prevention and treatment of wound sepsis in patients with second- and third-degree burns. |
| FDBD01375 | Sulfathiazole |
|
Anti-Infective Agents; Sulfonamides; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Dermatologicals; Short-Acting Sulfonamides; Sulfonamides and Trimethoprim; | Sulfathiazole is effective against a wide range of gram positive and gram negative pathogenic microorganisms. Although no longer used in humans, it is used in cattle. |
| FDBD01377 | Sulfadimethoxine |
|
Antiprotozoal Agents; Anti-Infective Agents; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antiparasitic Products, Insecticides and Repellents; Agents Against Protozoal Diseases; Sulfonamides and Trimethoprim; Long-Acting Sulfonamides; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; | For use in the treatment of infections. |
| FDBD01405 | Amisulpride |
|
Antipsychotic Agents; Dopamine Antagonists; Nervous System; Psycholeptics; Benzamides; | Investigated for use/treatment in schizophrenia and schizoaffective disorders, mania in bipolar disorder, and depression. |
| FDBD01435 | Dabigatran etexilate |
|
Antithrombins; Direct Thrombin Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; | Dabigatran is indicated for the prevention of venous thromboembolic events in patients who have undergone elective hip or knee replacement surgery (based on RE-NOVATE, RE-MODEL, and RE-MOBILIZE trials). In 2010, it was approved in the US and Canada for prevention of stroke and systemic embolism in patients with atrial fibrillation (approval based on the RE-LY trial). Contraindications: severe renal impairment (CrCL . |
| FDBD01462 | Sulfaphenazole |
|
Anti-Bacterial Agents; Anti-Infective Agents; Sulfonamides; Ophthalmologicals; Sensory Organs; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antiinfectives; Sulfonamides and Trimethoprim; Long-Acting Sulfonamides; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 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); | For the treatment bacterial infections. |
| FDBD01494 | Nepafenac |
|
Anti-Inflammatory Agents; Anti-Inflammatory Agents, Non-Steroidal; Prodrugs; Ophthalmologicals; Sensory Organs; | For the treatment of pain and inflammation associated with cataract surgery. |
| FDBD01516 | Sulfamoxole |
|
Anti-Bacterial Agents; Anti-Infective Agents; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Sulfonamides and Trimethoprim; Intermediate-Acting Sulfonamides; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; | For the treatment of bacterial infection. |
| FDBD01517 | Antazoline |
|
Anti-Allergic Agents; Histamine H1 Antagonists; Histamine Antagonists; Respiratory System; Nasal Preparations; Antihistamines for Systemic Use; Antiallergic Agents, Excl. Corticosteroids; | Used to relieve nasal congestion and in eye drops, usually in combination with naphazoline, to relieve the symptoms of allergic conjunctivitis. |
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
