Common name
N-[(1S,2R)-2-hydroxy-1-methyl-propyl]formamide
IUPAC name
N-[(1S,2R)-2-hydroxy-1-methyl-propyl]formamide
SMILES
O=CNC(C(C)O)C
Common name
N-[(1S,2R)-2-hydroxy-1-methyl-propyl]formamide
IUPAC name
N-[(1S,2R)-2-hydroxy-1-methyl-propyl]formamide
SMILES
O=CNC(C(C)O)C
INCHI
InChI=1S/C5H11NO2/c1-4(5(2)8)6-3-7/h3-5,8H,1-2H3,(H,6,7)/t4-,5+/m0/s1
FORMULA
C5H11NO2
Common name
N-[(1S,2R)-2-hydroxy-1-methyl-propyl]formamide
IUPAC name
N-[(1S,2R)-2-hydroxy-1-methyl-propyl]formamide
Molecular weight
117.146
clogP
-0.319
clogS
-0.124
Frequency
0.0007
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
49.33
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00108 | Nelfinavir |
|
Protease Inhibitors; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; 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); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Used in combination with other antiviral drugs in the treatment of HIV in both adults and children. |
| FDBD01251 | Lopinavir |
|
Anti-HIV Agents; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Inhibitors; 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); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Indicated in combination with other antiretroviral agents for the treatment of HIV-infection. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xfi_ligand_4_204.mol2 | 2xfi | 1 | -6.53 | C[C@H](NC=O)[C@@H](C)O | 8 |
| 2viy_ligand_4_286.mol2 | 2viy | 1 | -6.45 | C[C@@H](O)[C@H](C)NC=O | 8 |
| 2b8l_ligand_4_120.mol2 | 2b8l | 1 | -6.40 | C[C@@H](O)[C@@H](NC=O)C | 8 |
| 2b8v_ligand_4_84.mol2 | 2b8v | 1 | -6.36 | N(C=O)[C@@H](C)[C@H](O)C | 8 |
| 3duy_ligand_4_2850.mol2 | 3duy | 1 | -6.29 | [C@@H](NC=O)([C@H](C)O)C | 8 |
| 3ixj_ligand_4_2877.mol2 | 3ixj | 1 | -6.27 | [C@@H](C)(NC=O)[C@@H](O)C | 8 |
| 3dm6_ligand_4_1492.mol2 | 3dm6 | 1 | -6.26 | [C@H](O)(C)[C@@H](NC=O)C | 8 |
| 2g94_ligand_4_2565.mol2 | 2g94 | 1 | -6.25 | C[C@H](O)[C@H](C)NC=O | 8 |
101 ,
11
