Common name
5-methylthiazole
IUPAC name
5-methylthiazole
SMILES
Cc1scnc1
Common name
5-methylthiazole
IUPAC name
5-methylthiazole
SMILES
Cc1scnc1
INCHI
InChI=1S/C4H5NS/c1-4-2-5-3-6-4/h2-3H,1H3
FORMULA
C4H5NS
Common name
5-methylthiazole
IUPAC name
5-methylthiazole
Molecular weight
99.154
clogP
2.676
clogS
-1.298
Frequency
0.0010
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
41.13
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00376 | Ritonavir |
|
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 CYP2C8 Inhibitors; Cytochrome P-450 CYP3A 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); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; Combined Inducers of CYP3A4 and P-glycoprotein; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Indicated in combination with other antiretroviral agents for the treatment of HIV-infection. |
| FDBD00676 | Meloxicam |
|
Anti-Inflammatory Agents, Non-Steroidal; Cyclooxygenase Inhibitors; Musculo-Skeletal System; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Oxicams; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; | For symptomatic treatment of arthritis and osteoarthritis. |
| FDBD01652 | Cobicistat |
|
Anti-HIV Agents; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP3A Inhibitors; CYP2D6 Inducers; CYP2D6 Inducers (strong); | Cobicistat is a CYP3A inhibitor indicated to increase systemic exposure of atazanavir or darunavir (once daily dosing regimen) in combination with other antiretroviral agents in the treatment of HIV-1 infection. It is not interchangeable with ritonavir to increase systemic exposure of darunavir 600 mg twice daily, fosamprenavir, saquinavir, or tipranavir due to lack of exposure data. The use of cobicistat is not recommended with darunavir 600 mg twice daily, fosamprenavir, saquinavir or tipranavir. Complex or unknown mechanisms of drug interactions preclude extrapolation of ritonavir drug interactions to certain cobicistat interactions. Cobicistat and ritonavir when administered with either atazanavir or darunavir may result in different drug interactions when used with concomitant medications. |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1hxw_ligand_1_0.mol2 | 1hxw | 1 | -5.80 | c1ncsc1C | 6 |
| 1sh9_ligand_1_0.mol2 | 1sh9 | 1 | -5.76 | Cc1cncs1 | 6 |
| 4jln_ligand_1_5.mol2 | 4jln | 1 | -5.75 | c1ncc(s1)C | 6 |
| 4q1c_ligand_1_7.mol2 | 4q1c | 1 | -5.75 | Cc1cncs1 | 6 |
| 4q1f_ligand_frag_6.mol2 | 4q1f | 1 | -5.74 | c1ncc(s1)C | 6 |
| 4kcg_ligand_1_6.mol2 | 4kcg | 1 | -5.70 | Cc1cncs1 | 6 |
| 4q1a_ligand_1_5.mol2 | 4q1a | 1 | -5.70 | Cc1cncs1 | 6 |
| 4q1b_ligand_1_5.mol2 | 4q1b | 1 | -5.69 | c1ncc(s1)C | 6 |
| 4q1d_ligand_1_5.mol2 | 4q1d | 1 | -5.69 | Cc1cncs1 | 6 |
| 4u7v_ligand_1_0.mol2 | 4u7v | 1 | -5.69 | c1c(scn1)C | 6 |
114 ,
12
