Common name
2-methoxyethanamine
IUPAC name
2-methoxyethanamine
SMILES
O(C)CCN
Common name
2-methoxyethanamine
IUPAC name
2-methoxyethanamine
SMILES
O(C)CCN
INCHI
InChI=1S/C3H9NO/c1-5-3-2-4/h2-4H2,1H3
FORMULA
C3H9NO
Common name
2-methoxyethanamine
IUPAC name
2-methoxyethanamine
Molecular weight
75.110
clogP
-0.464
clogS
-0.327
Frequency
0.0007
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
35.25
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00263 | Amlodipine |
|
Antihypertensive Agents; Vasodilator Agents; Calcium Channel Blockers; Antianginal Agents; Lipid Modifying Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Angiotensin II Antagonists and Calcium Channel Blockers; ACE Inhibitors and Calcium Channel Blockers; Renin-Inhibitors; Dihydropyridine Derivatives; Selective Calcium Channel Blockers With Mainly Vascular Effects; Calcium Channel Blockers and Diuretics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; 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); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment of hypertension and chronic stable angina. |
| FDBD01761 | Levamlodipine |
|
; | For the treatment of hypertension. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2c1a_ligand_3_21.mol2 | 2c1a | 1 | -5.11 | C([NH3+])COC | 5 |
| 2jdt_ligand_3_21.mol2 | 2jdt | 1 | -5.11 | C([NH3+])COC | 5 |
| 4inb_ligand_3_19.mol2 | 4inb | 1 | -5.11 | [NH3+]CCOC | 5 |
| 2jdo_ligand_3_21.mol2 | 2jdo | 1 | -5.07 | C(OC)C[NH3+] | 5 |
| 3d0b_ligand_3_16.mol2 | 3d0b | 1 | -5.01 | C([NH3+])COC | 5 |
| 2xei_ligand_4_3055.mol2 | 2xei | 1 | -4.97 | C([NH3+])COC | 5 |
| 3iw8_ligand_3_4.mol2 | 3iw8 | 1 | -4.96 | O(CC[NH3+])C | 5 |
| 4o0v_ligand_3_0.mol2 | 4o0v | 1 | -4.88 | C(OC)C[NH3+] | 5 |
| 4o0t_ligand_3_0.mol2 | 4o0t | 1 | -4.86 | [NH3+]CCOC | 5 |
| 4rac_ligand_4_120.mol2 | 4rac | 1 | -4.85 | C([NH3+])COC | 5 |
273 ,
28
