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 |
|---|---|---|---|---|
| FDBD01395 | Avanafil |
|
Genito Urinary System and Sex Hormones; Drugs Used in Erectile Dysfunction; Urological Agents; CYP3A4 Inhibitors; | Treatment of erectile dysfunction in males. |
| FDBD01419 | Pazopanib |
|
Antineoplastic Agents; Immunosuppressive Agents; Protein Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | Treatment of advanced renal cell cancer and advanced soft tissue sarcoma (in patients previously treated with chemotherapy) . |
| FDBD01544 | Rilpivirine |
|
Anti-HIV Agents; Reverse Transcriptase Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Non-Nucleoside Reverse Transcriptase Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Treatment of HIV-1 infections in treatment-naive patients with HIV-1 RNA |
| FDBD01582 | MACITENTAN |
|
Antihypertensive Agents; Vasodilator Agents; Cardiovascular System; Antihypertensives for Pulmonary Arterial Hypertension; Cytochrome P-450 CYP2C19 Inducers; CYP3A4 Inhibitors; Endothelin A Receptor Antagonists; Endothelin B Receptor Antagonists; | Macitentan is indicated for patients with pulmonary arterial hypertension. |
| FDBD01736 | Lobeglitazone |
|
; | |
| FDBD01810 | Osimertinib |
|
Antineoplastic Agents; Protein Kinase Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP3A4 Inhibitors; | Osimertinib is indicated for the treatment of patients with metastatic epidermal growth factor receptor (EGFR) T790M mutation-positive non-small cell lung cancer (NSCLC), as detected by an FDA- approved test, who have progressed on or after EGFR-TKI therapy. |
| FDBD02147 | butathiofos |
|
Insecticide | Insecticide |
| FDBD02149 | etrimfos |
|
Insecticide | Insecticide |
| FDBD02150 | lirimfos |
|
Insecticide | Insecticide |
| FDBD02156 | tebupirimfos |
|
Insecticide | Insecticide |
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
