Common name
N-tert-butylformamide
IUPAC name
N-tert-butylformamide
SMILES
O=CNC(C)(C)C
Common name
N-tert-butylformamide
IUPAC name
N-tert-butylformamide
SMILES
O=CNC(C)(C)C
INCHI
InChI=1S/C5H11NO/c1-5(2,3)6-4-7/h4H,1-3H3,(H,6,7)
FORMULA
C5H11NO
Common name
N-tert-butylformamide
IUPAC name
N-tert-butylformamide
Molecular weight
101.147
clogP
0.181
clogS
-1.013
Frequency
0.0024
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
0
Rotatable Bond
1
| 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. |
| FDBD00112 | Indinavir |
|
Protease Inhibitors; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Indinavir is an antiretroviral drug for the treatment of HIV infection. |
| FDBD01062 | Finasteride |
|
Adrenergic alpha-Antagonists; 5-alpha Reductase Inhibitors; Skin and Mucous Membrane Agents; Genito Urinary System and Sex Hormones; Dermatologicals; Drugs Used in Benign Prostatic Hypertrophy; Testosterone-5-Alpha Reductase Inhibitors; Urological Agents; CYP3A4 Inhibitors; | For the treatment of symptomatic benign prostatic hyperplasia (BPH) in men with an enlarged prostate to: Improve symptoms, reduce the risk of acute urinary retention, reduce the risk of the need for surgery including transurethral resection of the prostate. Also used for the stimulation of regrowth of hair in men with mild to moderate androgenetic alopecia (male pattern alopecia, hereditary alopecia, common male baldness). |
| FDBD01076 | Saquinavir |
|
Protease Inhibitors; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment of HIV-1 with advanced immunodeficiency together with antiretroviral nucleoside analogues. |
| FDBD01995 | chromafenozide |
|
Insecticide | Insecticide |
| FDBD01997 | halofenozide |
|
Insecticide | Insecticide |
| FDBD01999 | tebufenozide |
|
Insecticide | Insecticide |
7 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1sdv_ligand_1_2.mol2 | 1sdv | 1 | -6.36 | C(C)(C)(C)NC=O | 7 |
| 2q64_ligand_1_2.mol2 | 2q64 | 1 | -6.36 | C(=O)NC(C)(C)C | 7 |
| 2r5p_ligand_1_2.mol2 | 2r5p | 1 | -6.36 | C(C)(C)(C)NC=O | 7 |
| 1sdt_ligand_1_2.mol2 | 1sdt | 1 | -6.35 | C(=O)NC(C)(C)C | 7 |
| 2avv_ligand_1_2.mol2 | 2avv | 1 | -6.35 | C(C)(C)(C)NC=O | 7 |
| 2fgu_ligand_1_12.mol2 | 2fgu | 1 | -6.35 | C(=O)NC(C)(C)C | 7 |
| 2q63_ligand_1_2.mol2 | 2q63 | 1 | -6.35 | C(C)(C)(C)NC=O | 7 |
| 3ekx_ligand_1_2.mol2 | 3ekx | 1 | -6.35 | C(=O)NC(C)(C)C | 7 |
| 1sdu_ligand_1_2.mol2 | 1sdu | 1 | -6.34 | C(=O)NC(C)(C)C | 7 |
| 1sgu_ligand_1_2.mol2 | 1sgu | 1 | -6.34 | C(=O)NC(C)(C)C | 7 |
131 ,
14
