Common name
pyrimidine
IUPAC name
pyrimidine
SMILES
n1cnccc1
Common name
pyrimidine
IUPAC name
pyrimidine
SMILES
n1cnccc1
INCHI
InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H
FORMULA
C4H4N2
Common name
pyrimidine
IUPAC name
pyrimidine
Molecular weight
80.088
clogP
1.189
clogS
-0.927
Frequency
0.0161
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
25.78
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00243 | Sulfadiazine |
|
Antiprotozoal Agents; Anti-Infective Agents; Coccidiostats; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antibacterials for Intramammary Use; Sulfonamides and Trimethoprim; Intermediate-Acting Sulfonamides; Sulfonamides and Trimethoprim Incl. Derivatives; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of rheumatic fever and meningococcal meningitis. |
| FDBD00363 | Buspirone |
|
Anti-Anxiety Agents; Hypnotics and Sedatives; Serotonin Receptor Agonists; Nervous System; Anxiolytics; Psycholeptics; Azaspirodecanedione Derivatives; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the management of anxiety disorders or the short-term relief of the symptoms of anxiety, and also as an augmention of SSRI-treatment against depression. |
| FDBD00426 | Bosentan |
|
Antihypertensive Agents; Cardiovascular System; Antihypertensives for Pulmonary Arterial Hypertension; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; CYP3A4 Inhibitors; BSEP/ABCB11 Inhibitors; Endothelin Receptor Antagonists; | Used in the treatment of pulmonary arterial hypertension (PAH), to improve exercise ability and to decrease the rate of clinical worsening (in patients with WHO Class III or IV symptoms). |
| FDBD00484 | Imatinib |
|
Antineoplastic Agents; Immunosuppressive Agents; Protein Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; 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; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment of Philadelphia chromosome positive chronic myeloid leukemia (Ph+ CML), Ph+ acute lymphoblastic leukaemia, myelodysplastic/myeloproliferative diseases, aggressive systemic mastocytosis, hypereosinophilic syndrome and/or chronic eosinophilic leukemia (CEL), dermatofibrosarcoma protuberans, and malignant gastrointestinal stromal tumors (GIST). |
| FDBD00948 | Rosuvastatin |
|
Hydroxymethylglutaryl-CoA Reductase Inhibitors; HMG CoA Reductase Inhibitors; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP3A4 Inhibitors; | Used as an adjunct to dietary therapy to treat primary hyperlipidemia (heterozygous familial and nonfamilial), mixed dyslipidemia and hypertriglyceridemia. Also indicated for homozygous familial hypercholesterolemia as an adjunct to other lipid-lowering therapies or when other such therapies are not available. Furthermore, it is used to slow the progression of atherosclerosis and for primary prevention of cardiovascular disease. |
| FDBD01124 | Sulfadoxine |
|
Sulfadoxine is used in combination with pyrimethamine for the treatment or prevention of malaria. It can also be used to treat various infections in livestock as well. | |
| FDBD01169 | Glycodiazine |
|
Drugs Used in Diabetes; Alimentary Tract and Metabolism; Blood Glucose Lowering Drugs, Excl. Insulins; Sulfonamides (Heterocyclic); | Glycodiazine is used concomitantly with insulin for the treatment of noninsulin-dependent (type 2) diabetes mellitus. |
| FDBD01336 | Nilotinib |
|
Antineoplastic Agents; Immunosuppressive Agents; Protein Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 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 potential treatment of various leukemias, including chronic myeloid leukemia (CML). |
| FDBD01361 | Silver sulfadiazine |
|
Anti-Bacterial Agents; Anti-Infective Agents, Local; Sulfonamides; Antibiotics, Topical; Dermatologicals; | Indicated as an adjunct for the prevention and treatment of wound sepsis in patients with second- and third-degree burns. |
| FDBD01377 | Sulfadimethoxine |
|
Antiprotozoal Agents; Anti-Infective Agents; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antiparasitic Products, Insecticides and Repellents; Agents Against Protozoal Diseases; Sulfonamides and Trimethoprim; Long-Acting Sulfonamides; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; | For use in the treatment of infections. |
47 ,
5
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2gu8_ligand_frag_1.mol2 | 2gu8 | 1 | -5.97 | c1ccncn1 | 6 |
| 2e2b_ligand_frag_5.mol2 | 2e2b | 1 | -5.96 | n1cnccc1 | 6 |
| 4ph4_ligand_frag_1.mol2 | 4ph4 | 1 | -5.96 | c1ncncc1 | 6 |
| 2c5y_ligand_frag_3.mol2 | 2c5y | 1 | -5.95 | c1ncncc1 | 6 |
| 1pxm_ligand_frag_2.mol2 | 1pxm | 1 | -5.94 | c1ncccn1 | 6 |
| 4nbn_ligand_frag_2.mol2 | 4nbn | 1 | -5.93 | c1ccncn1 | 6 |
| 1pxp_ligand_frag_0.mol2 | 1pxp | 1 | -5.92 | c1ncncc1 | 6 |
270 ,
28
