Common name
2-methylpropan-1-amine
IUPAC name
2-methylpropan-1-amine
SMILES
NCC(C)C
Common name
2-methylpropan-1-amine
IUPAC name
2-methylpropan-1-amine
SMILES
NCC(C)C
INCHI
InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3
FORMULA
C4H11N
Common name
2-methylpropan-1-amine
IUPAC name
2-methylpropan-1-amine
Molecular weight
73.137
clogP
0.027
clogS
-0.612
Frequency
0.0017
HBond Acceptor
0
HBond Donor
2
Total PolarSurface Area
26.02
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00443 | Valaciclovir |
|
Antiviral Agents; Prodrugs; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Nucleosides and Nucleotides Excl. Reverse Transcriptase Inhibitors; | For the treatment or suppression of cold sores (herpes labialis), herpes zoster (shingles), genital herpes in immunocompetent individuals, and recurrent genital herpes in HIV-infected individuals. |
| FDBD00566 | Amprenavir |
|
Anti-HIV Agents; Antibiotics, Antitubercular; 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 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 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; | For the treatment of HIV-1 infection in combination with other antiretroviral agents. |
| FDBD01106 | Darunavir |
|
Protease Inhibitors; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; CYP3A4 Inhibitors; | Darunavir, co-administered with ritonavir, and with other antiretroviral agents, is indicated for the treatment of human immunodeficiency virus (HIV) infection in antiretroviral treatment-experienced adult patients, such as those with HIV-1 strains resistant to more than one protease inhibitor. |
| FDBD01127 | Fosamprenavir |
|
Anti-HIV Agents; Protease Inhibitors; HIV Protease Inhibitors; Prodrugs; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; CYP3A4 Inhibitors; | Indicated in combination with other antiretroviral agents for the treatment of human immunodeficiency virus (HIV-1) infection, as well as postexposure prophylaxis of HIV infection in individuals who have had occupational or nonoccupational exposure to potentially infectious body fluids of a person known to be infected with HIV when that exposure represents a substantial risk for HIV transmission. The use of fosamprenavir is pending revision due to a potential association between the drug and myocardial infarction and dyslipidemia in HIV infected adults. |
| FDBD01260 | Valganciclovir |
|
Antiviral Agents; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Nucleosides and Nucleotides Excl. Reverse Transcriptase Inhibitors; | Valganciclovir is an antiviral medication used for the treatment of cytomegalovirus infections. |
5 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3coy_ligand_1_1.mol2 | 3coy | 1 | -6.51 | C([NH3+])C(C)(C)C | 6 |
| 4fys_ligand_1_1.mol2 | 4fys | 1 | -6.43 | C(C)(C)C[NH3+] | 5 |
| 1a99_ligand_2_2.mol2 | 1a99 | 1 | -6.26 | CCC[NH3+] | 4 |
| 2ajb_ligand_1_0.mol2 | 2ajb | 1 | -6.25 | C(C)(C)(C)C[NH3+] | 6 |
| 1i7m_ligand_2_2.mol2 | 1i7m | 1 | -6.16 | C(C[NH3+])C | 4 |
| 4qfp_ligand_1_1.mol2 | 4qfp | 1 | -6.14 | C(C)(C)C[NH3+] | 5 |
505 ,
51
