Common name
N-methylaniline
IUPAC name
N-methylaniline
SMILES
CNc1ccccc1
Common name
N-methylaniline
IUPAC name
N-methylaniline
SMILES
CNc1ccccc1
INCHI
InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3
FORMULA
C7H9N
Common name
N-methylaniline
IUPAC name
N-methylaniline
Molecular weight
107.153
clogP
1.572
clogS
-2.011
Frequency
0.0076
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
12.03
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| 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 . |
| 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. |
| FDBD01668 | Tetracaine |
|
Anesthetics, Local; Anesthetics; Ophthalmologicals; Sensory Organs; Dermatologicals; Nervous System; Cardiovascular System; 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; | |
| FDBD01715 | Florbetaben (18F) |
|
Diagnostic Radiopharmaceuticals; Central Nervous System; | |
| FDBD01716 | Florbetapir (18F) |
|
Diagnostic Radiopharmaceuticals; Central Nervous System; | |
| FDBD01759 | Efonidipine |
|
; | For the treatment of hypertension. |
| FDBD01810 | Osimertinib |
|
Antineoplastic Agents; Protein Kinase Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP3A4 Inhibitors; | Osimertinib is indicated for the treatment of patients with metastatic epidermal growth factor receptor (EGFR) T790M mutation-positive non-small cell lung cancer (NSCLC), as detected by an FDA- approved test, who have progressed on or after EGFR-TKI therapy. |
| FDBD02441 | cambendichlor |
|
Herbicide | Herbicide |
| FDBD02690 | pyribambenz-isopropyl |
|
Herbicide | Herbicide |
| FDBD02691 | pyribambenz-propyl |
|
Herbicide | Herbicide |
22 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4k3h_ligand_1_3.mol2 | 4k3h | 1 | -7.00 | c1ccc(cc1)N(C)C | 9 |
| 3fui_ligand_2_12.mol2 | 3fui | 1 | -6.99 | c1ccc(cc1)NC | 8 |
| 4k3h_ligand_1_4.mol2 | 4k3h | 1 | -6.96 | c1ccc(cc1)N(C)C | 9 |
| 3ftw_ligand_2_1.mol2 | 3ftw | 1 | -6.93 | c1ccccc1NC | 8 |
| 3ftv_ligand_2_1.mol2 | 3ftv | 1 | -6.92 | c1ccccc1NC | 8 |
| 2hz0_ligand_2_25.mol2 | 2hz0 | 1 | -6.89 | CNc1ccccc1 | 8 |
| 5ew3_ligand_2_12.mol2 | 5ew3 | 1 | -6.83 | c1ccc(cc1)NC | 8 |
| 3hng_ligand_2_7.mol2 | 3hng | 1 | -6.82 | c1c(cccc1)NC | 8 |
| 4kmz_ligand_2_6.mol2 | 4kmz | 1 | -6.72 | N(c1ccccc1)C | 8 |
120 ,
13
