Common name
N-phenylquinazolin-4-amine
IUPAC name
N-phenylquinazolin-4-amine
SMILES
c1(ccccc1)Nc2c3c(ncn2)cccc3
Common name
N-phenylquinazolin-4-amine
IUPAC name
N-phenylquinazolin-4-amine
SMILES
c1(ccccc1)Nc2c3c(ncn2)cccc3
INCHI
InChI=1S/C14H11N3/c1-2-6-11(7-3-1)17-14-12-8-4-5-9-13(12)15-10-16-14/h1-10H,(H,15,16,17)
FORMULA
C14H11N3
Common name
N-phenylquinazolin-4-amine
IUPAC name
N-phenylquinazolin-4-amine
Molecular weight
221.257
clogP
2.686
clogS
-4.390
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
37.81
Number of Rings
3
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| 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. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5alr_ligand_2_1.mol2 | 5alr | 1 | -9.00 | c1ccc2c(c1)c(ncn2)Nc1ccccc1 | 17 |
| 2vrx_ligand_2_39.mol2 | 2vrx | 1 | -8.31 | c1(ccccc1)Nc1c2c(cccc2)ncn1 | 17 |
| 2hwo_ligand_2_5.mol2 | 2hwo | 1 | -7.98 | c1cc2c(cc1)ncnc2Nc1ccccc1 | 17 |
| 1di9_ligand_2_2.mol2 | 1di9 | 1 | -7.81 | N(c1ncnc2c1cccc2)c1ccccc1 | 17 |
| 4knx_ligand_2_15.mol2 | 4knx | 1 | -7.43 | c1cc2c(cc1)ncnc2Nc1ccccc1 | 17 |
| 1kz8_ligand_2_13.mol2 | 1kz8 | 1 | -6.51 | c1cc(ccc1)Nc1ncnc2c1cccc2 | 17 |
| 3hmm_ligand_2_2.mol2 | 3hmm | 0.933333 | -7.80 | N(c1ccncc1)c1ncnc2c1cccc2 | 17 |
| 1h00_ligand_2_1.mol2 | 1h00 | 0.892857 | -7.42 | N(c1ncncc1)c1ccccc1 | 13 |
138 ,
14
