Common name
quinazolin-6-ol
IUPAC name
quinazolin-6-ol
SMILES
Oc1cc2c(ncnc2)cc1
Common name
quinazolin-6-ol
IUPAC name
quinazolin-6-ol
SMILES
Oc1cc2c(ncnc2)cc1
INCHI
InChI=1S/C8H6N2O/c11-7-1-2-8-6(3-7)4-9-5-10-8/h1-5,11H
FORMULA
C8H6N2O
Common name
quinazolin-6-ol
IUPAC name
quinazolin-6-ol
Molecular weight
146.146
clogP
1.496
clogS
-1.974
Frequency
0.0007
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
46.01
Number of Rings
2
Rotatable Bond
0
| 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_1_4.mol2 | 2ito | 1 | -6.73 | Oc1ccc2c(c1)cncn2 | 11 |
| 2itz_ligand_1_4.mol2 | 2itz | 1 | -6.73 | c1(ccc2c(c1)cncn2)O | 11 |
| 2bak_ligand_1_6.mol2 | 2bak | 1 | -6.71 | Oc1ccc2ncncc2c1 | 11 |
| 2ity_ligand_1_3.mol2 | 2ity | 1 | -6.66 | Oc1ccc2c(c1)cncn2 | 11 |
| 1kz8_ligand_1_4.mol2 | 1kz8 | 1 | -5.89 | c1ncnc2c1cc(cc2)O | 11 |
| 2ivu_ligand_1_3.mol2 | 2ivu | 0.860465 | -6.81 | O(C)c1ccc2c(c1)cncn2 | 12 |
| 2vrx_ligand_1_5.mol2 | 2vrx | 0.860465 | -6.81 | O(C)c1ccc2c(c1)cncn2 | 12 |
120 ,
13
