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 |
|---|---|---|---|---|
| FDBD00751 | Oxybuprocaine |
|
Anesthetics, Local; Ophthalmologicals; Sensory Organs; Dermatologicals; Local Anesthetics; Anesthetics for Topical Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; | Used to temporarily numb the front surface of the eye so that the eye pressure can be measured or a foreign body removed. |
| FDBD00770 | Anileridine |
|
Anesthetics; Nervous System; Anesthetics, General; Opioid Anesthetics; | For treatment and management of pain (systemic) and for use as an anesthesia adjunct. |
| FDBD00787 | Tipranavir |
|
Anti-HIV Agents; Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For combination antiretroviral treatment of HIV-1 infected adult patients with evidence of viral replication, who are highly treatment-experienced or have HIV-1 strains resistant to multiple protease inhibitors. |
| FDBD00818 | Bromfenac |
|
Anti-Inflammatory Agents; Anti-Inflammatory Agents, Non-Steroidal; Ophthalmologicals; Sensory Organs; | For the treatment of postoperative inflammation in patients who have undergone cataract extraction. |
| FDBD00869 | Sulfamethoxazole |
|
Anti-Infective Agents; Sulfonamides; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Sulfonamides and Trimethoprim; Intermediate-Acting Sulfonamides; 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 bacterial infections causing bronchitis, prostatitis and urinary tract infections. |
| FDBD00888 | Procainamide |
|
Anti-Arrhythmia Agents; Voltage-Gated Sodium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; Antiarrhythmics, Class Ia; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of life-threatening ventricular arrhythmias. |
| FDBD00894 | Melphalan |
|
Antineoplastic Agents; Immunosuppressive Agents; Antineoplastic Agents, Alkylating; Alkylating Agents; Myeloablative Agonists; Antineoplastic and Immunomodulating Agents; Nitrogen Mustard Analogues; | For the palliative treatment of multiple myeloma and for the palliation of non-resectable epithelial carcinoma of the ovary. Has also been used alone or as part of various chemotherapeutic regimens as an adjunct to surgery in the treatment of breast cancer, alone or in combination regimens for palliative treatment of locally recurrent or unresectable in-transit metastatic melanoma of the extremities, as well as for the treatment of amyloidosis with prednisone. |
| FDBD00936 | Benzocaine |
|
Anesthetics, Local; Anesthetics; Respiratory System; Throat Preparations; Dermatologicals; Nervous System; Cardiovascular System; Anesthetics, General; Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Vasoprotectives; Anesthetics for Topical Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Esters of Aminobenzoic Acid; | For general use as a lubricant and topical anesthetic on esophagus, larynx, mouth, nasal cavity, rectum, respiratory tract or trachea, urinary tract, vagina. It is also used to suppress gag reflex. |
| FDBD00993 | Sulfoxone |
|
Anti-Infective Agents; Sulfonamides; | For the treatment of leprosy and dermatitis herpetiformis. |
| FDBD01004 | Trimetrexate |
|
Antifungal Agents; Antiprotozoal Agents; Folic Acid Antagonists; Antimetabolites, Antineoplastic; Antibiotics; Antiparasitic Products, Insecticides and Repellents; | For use, with concurrent leucovorin administration (leucovorin protection), as an alternative therapy for the treatment of moderate-to-severe . |
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
