General Information of the Compound
| Compound ID |
CP0035025
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-anilinoquinazoline deriv. 2
Show/Hide
|
||||||||||||||||||
| Synonyms |
194423-15-9
2-Propenamide, N-(4-((3-bromophenyl)amino)-6-quinazolinyl)-
2-Propenamide, N-[4-[(3-bromophenyl)amino]-6-quinazolinyl]-
3R996Y9T0I
4-[(3-Bromophenyl)amino]-6-acrylamidoquinazoline
C17H13BrN4O
CHEMBL285063
N-(4-((3-bromophenyl)amino)quinazolin-6-yl)acrylamide
N-[4-(3-Bromo-phenylamino)-quinazolin-6-yl]-acrylamide
N-[4-(3-bromoanilino)quinazolin-6-yl]prop-2-enamide
PD-168393
PD168393
UNII-3R996Y9T0I
n-{4-[(3-bromophenyl)amino]quinazolin-6-yl}prop-2-enamide
nchembio866-comp2
pd 168393
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H13BrN4O
|
||||||||||||||||||
| Molecular Weight |
369.222
|
||||||||||||||||||
| Canonical SMILES |
Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HTUBKQUPEREOGA-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
3968-03-4
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
| DrugBank ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00922, Epidermal growth factor receptor
Cell-based Assay
Protein ID: PT01233, Receptor tyrosine-protein kinase erbB-2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000104 | SW620 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 8230 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|
| CL000157 | NCI-H1975 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 610 nM
|
TI
LI
LO
TS
|
|
Clinical Information about the Compound