General Information of the Compound
| Compound ID |
CP0037987
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
Show/Hide
|
||||||||||||||||||
| Synonyms |
4-[(3-Ethynylphenyl)amino]-6,7-bis(2-methoxyethoxy)quinazoline
4-[(3-ethynylphenyl)amino]-6,7-bis(2-methoxyethoxy)quinazoline
CP 358,774
CP-358,774
CP-358774
Erlotinib
Erlotinib Base
Erlotinib(Tarceva)
Erlotinib, OS-774
Erlotinin
N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine
N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-Quinazolinamine
N-(3-ethynylphenyl)[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amine
OSI 744
R 1415
Tarceva
Tarceva (TN)
[6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE-4-YL]-(3-ETHYNYLPHENYL)AMINE
[6,7-Bis-(2-methoxy-ethoxy)-quinazolin-4-yl]-(3-ethynyl-phenyl)-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23N3O4
|
||||||||||||||||||
| Molecular Weight |
393.443
|
||||||||||||||||||
| Canonical SMILES |
COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AAKJLRGGTJKAMG-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
183321-74-6
|
||||||||||||||||||
| 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: PT01920, Cyclin-G-associated kinase
Protein ID: PT00922, Epidermal growth factor receptor
Cell-based Assay
Biochemical Assays
Protein ID: PT00991, Histone deacetylase 1
Protein ID: PT00995, Histone deacetylase 3
Protein ID: PT01213, Histone deacetylase 6
Protein ID: PT01499, Histone deacetylase 8
Protein ID: PT01104, Insulin-like growth factor 1 receptor
Protein ID: PT00844, Platelet-derived growth factor receptor beta
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01233, Receptor tyrosine-protein kinase erbB-2
Cell-based Assay
Protein ID: PT01068, Receptor tyrosine-protein kinase erbB-3
Protein ID: PT03795, Solute carrier family 22 member 1
Protein ID: PT03566, Solute carrier organic anion transporter family member 1B1
Protein ID: PT03657, Solute carrier organic anion transporter family member 1B3
Protein ID: PT04616, Solute carrier organic anion transporter family member 2B1
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Cell Viability or Cytotoxicity Assay
Clinical Information about the Compound