Common name
N-methoxy-1-phenyl-methanamine
IUPAC name
N-methoxy-1-phenyl-methanamine
SMILES
c1(ccccc1)CNOC
Common name
N-methoxy-1-phenyl-methanamine
IUPAC name
N-methoxy-1-phenyl-methanamine
SMILES
c1(ccccc1)CNOC
INCHI
InChI=1S/C8H11NO/c1-10-9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
FORMULA
C8H11NO
Common name
N-methoxy-1-phenyl-methanamine
IUPAC name
N-methoxy-1-phenyl-methanamine
Molecular weight
138.187
clogP
1.724
clogS
-2.199
Frequency
0.0007
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
25.84
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00065 | Fluvoxamine |
|
Antidepressive Agents, Second-Generation; Anti-Anxiety Agents; Serotonin Uptake Inhibitors; Nervous System; Antidepressants; Psychoanaleptics; Selective Serotonin Reuptake Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For management of depression and for Obsessive Compulsive Disorder (OCD). Has also been used in the management of bulimia nervosa. |
| FDBD01053 | Ridogrel |
|
Platelet Aggregation Inhibitors; Gastrointestinal Agents; Enzyme Inhibitors; Thrombolytic Agents; | Used as an adjunctive therapy to induce thrombolysis in patients suffering acute myocardial infarction. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mm9_ligand_3_110.mol2 | 4mm9 | 1 | -6.87 | CO[NH2+]Cc1ccccc1 | 10 |
| 4mm9_ligand_4_195.mol2 | 4mm9 | 0.852941 | -7.24 | CO[NH2+][C@H](C)c1ccccc1 | 11 |
| 4mm9_ligand_2_35.mol2 | 4mm9 | 0.827586 | -6.77 | O[NH2+]Cc1ccccc1 | 9 |
| 4zh2_ligand_frag_1.mol2 | 4zh2 | 0.827586 | -6.45 | c1cc(ccc1)C[NH2+]O | 9 |
| 2nv7_ligand_1_0.mol2 | 2nv7 | 0.8 | -7.86 | c1ccc2c(c1)c(ccc2)C[NH2+]O | 13 |
| 2rg6_ligand_2_4.mol2 | 2rg6 | 0.707317 | -7.58 | C(=O)(NOC)c1ccc(cc1)C | 12 |
| 2rg5_ligand_2_3.mol2 | 2rg5 | 0.707317 | -7.55 | O(C)NC(=O)c1ccc(cc1)C | 12 |
| 4mm9_ligand_3_100.mol2 | 4mm9 | 0.705882 | -7.14 | O[NH2+][C@H](C)c1ccccc1 | 10 |
| 1w22_ligand_1_3.mol2 | 1w22 | 0.648649 | -7.36 | c1ccc(cc1)C(=O)NO | 10 |
196 ,
20
