Common name
6-ethoxyquinazoline
IUPAC name
6-ethoxyquinazoline
SMILES
O(CC)c1cc2c(ncnc2)cc1
Common name
6-ethoxyquinazoline
IUPAC name
6-ethoxyquinazoline
SMILES
O(CC)c1cc2c(ncnc2)cc1
INCHI
InChI=1S/C10H10N2O/c1-2-13-9-3-4-10-8(5-9)6-11-7-12-10/h3-7H,2H2,1H3
FORMULA
C10H10N2O
Common name
6-ethoxyquinazoline
IUPAC name
6-ethoxyquinazoline
Molecular weight
174.199
clogP
2.248
clogS
-3.100
Frequency
0.0007
HBond Acceptor
3
HBond Donor
0
Total PolarSurface Area
35.01
Number of Rings
2
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00203 | Gefitinib |
|
Antineoplastic Agents; Protein Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the continued treatment of patients with locally advanced or metastatic non-small cell lung cancer after failure of either platinum-based or docetaxel chemotherapies. |
| FDBD00399 | Erlotinib |
|
Antineoplastic 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; | For the treatment of patients with locally advanced or metastatic non-small cell lung cancer after failure of at least one prior chemotherapy regimen. Also for use, in combination with gemcitabine, as the first-line treatment of patients with locally advanced, unresectable or metastatic pancreatic cancer. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ito_ligand_3_36.mol2 | 2ito | 1 | -6.88 | O(c1ccc2c(c1)cncn2)CC | 13 |
| 2bak_ligand_3_116.mol2 | 2bak | 1 | -6.85 | O(CC)c1ccc2ncncc2c1 | 13 |
| 2itz_ligand_3_36.mol2 | 2itz | 1 | -6.83 | C(C)Oc1ccc2c(c1)cncn2 | 13 |
| 2ity_ligand_3_39.mol2 | 2ity | 1 | -6.75 | O(c1ccc2c(c1)cncn2)CC | 13 |
| 1kz8_ligand_2_22.mol2 | 1kz8 | 1 | -6.25 | C(C)Oc1cc2cncnc2cc1 | 13 |
| 2ivu_ligand_1_3.mol2 | 2ivu | 0.934783 | -6.81 | O(C)c1ccc2c(c1)cncn2 | 12 |
| 2vrx_ligand_1_5.mol2 | 2vrx | 0.934783 | -6.81 | O(C)c1ccc2c(c1)cncn2 | 12 |
102 ,
11
