Common name
ethyl (2S)-2-aminopropanoate
IUPAC name
ethyl (2S)-2-aminopropanoate
SMILES
C(C)(N)C(=O)OCC
Common name
ethyl (2S)-2-aminopropanoate
IUPAC name
ethyl (2S)-2-aminopropanoate
SMILES
C(C)(N)C(=O)OCC
INCHI
InChI=1S/C5H11NO2/c1-3-8-5(7)4(2)6/h4H,3,6H2,1-2H3/t4-/m0/s1
FORMULA
C5H11NO2
Common name
ethyl (2S)-2-aminopropanoate
IUPAC name
ethyl (2S)-2-aminopropanoate
Molecular weight
117.146
clogP
-0.222
clogS
-0.385
Frequency
0.0031
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
52.32
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00067 | Ramipril |
|
Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Lipid Modifying Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; ACE Inhibitors and Calcium Channel Blockers; | For the management of mild to severe hypertension. May be used to reduce cardiovascular mortality following myocardial infarction in hemodynamically stable individuals who develop clinical signs of congestive heart failure within a few days following myocardial infarction. To reduce the rate of death, myocardial infarction and stroke in individuals at high risk of cardiovascular events. May be used to slow the progression of renal disease in individuals with hypertension, diabetes mellitus and microalubinuria or overt nephropathy. |
| FDBD00389 | Trandolapril |
|
Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Calcium Channel Blockers; | For the treatment of mild to moderate hypertension, as an adjunct in the treatment of congestive heart failure (CHF), to improve survival following myocardial infarction (MI) in individuals who are hemodynamically stable and demonstrate symptoms of left ventricular systolic dysfunction or signs of CHF within a few days following acute MI, and to slow progression of renal disease in hypertensive patients with diabetes mellitus and microalbuminuria or overt nephropathy. |
| FDBD00409 | Benazepril |
|
Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; | For the treatment of hypertension. It may be used alone or in combination with thiazide diuretics. |
| FDBD00449 | Enalapril |
|
Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; ACE Inhibitors and Calcium Channel Blockers; CYP3A4 Inhibitors; | For the treatment of essential or renovascular hypertension and symptomatic congestive heart failure. It may be used alone or in combination with thiazide diuretics. |
| FDBD00556 | Moexipril |
|
Angiotensin-Converting Enzyme Inhibitors; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; | For the treatment of hypertension. |
| FDBD00652 | Perindopril |
|
Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Lipid Modifying Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; ACE Inhibitors and Calcium Channel Blockers; | For the treatment of mild to moderate essential hypertension, mild to moderate congestive heart failure, and to reduce the cardiovascular risk of individuals with hypertension or post-myocardial infarction and stable coronary disease. |
| FDBD00741 | Quinapril |
|
Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; | For the treatment of hypertension and as adjunct therapy in the treatment of congestive heart failure. May also be used to slow the rate of progression of renal disease in hypertensive individuals with diabetes mellitus and microalbuminuria or overt nephropathy. |
| FDBD01144 | Cilazapril |
|
Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; | Cilazapril is an ACE inhibtor class drug used in the treatment of hypertension and heart failure. |
| FDBD01148 | Spirapril |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; | Spirapril is an ACE inhibitor class drug used to treat hypertension. |
9 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ph6_ligand_2_0.mol2 | 2ph6 | 0.818182 | -6.31 | COC(=O)C([NH3+])(C)C | 8 |
| 2ph6_ligand_1_1.mol2 | 2ph6 | 0.818182 | -5.90 | COC(=O)[C@@H]([NH3+])C | 7 |
| 4b2l_ligand_1_0.mol2 | 4b2l | 0.818182 | -5.16 | [NH3+][C@H](C(=O)OC)C | 7 |
| 1p6d_ligand_4_1325.mol2 | 1p6d | 0.727273 | -6.51 | C(OC(=O)CC)(C)C | 8 |
| 1p6e_ligand_4_671.mol2 | 1p6e | 0.727273 | -6.42 | CC(C)OC(=O)CC | 8 |
| 1p6d_ligand_3_395.mol2 | 1p6d | 0.727273 | -6.18 | C(OC(=O)CC)C | 7 |
| 1p6e_ligand_3_244.mol2 | 1p6e | 0.727273 | -6.12 | CCOC(=O)CC | 7 |
| 1p6d_ligand_3_350.mol2 | 1p6d | 0.727273 | -6.09 | C(OC(=O)CC)C | 7 |
| 4tnw_ligand_3_158.mol2 | 4tnw | 0.727273 | -5.99 | CCC(=O)OCC | 7 |
| 1p6e_ligand_3_208.mol2 | 1p6e | 0.727273 | -5.97 | CCOC(=O)CC | 7 |
111 ,
12
