Bioactivity Information

Brief Information of the Compound and Protein

Compound Name

Compound Info

N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine

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PubChem ID

CID: 176870

SID: 14878691

Canonical SMILES	COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show/Hide
Compound Formula	C22H23N3O4

Compound Structure

Protein Name

Protein Info

Epidermal growth factor receptor

Protein Classification

Enzyme

Kinase

Protein Kinase

TK protein kinase group

Tyrosine protein kinase EGFR family

Uniprot ID

P00533

Gene Name

EGFR

Table of Molecular Bioactivities Related to the Compound and Protein

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000052	A-431 Cell Line Info	Homo sapiens (Human)	4
1	IC50 = 1.2 nM	TI LI LO TS
2	IC50 = 30 nM	TI LI LO TS
3	IC50 = 34 nM	TI LI LO TS
4	IC50 = 92 nM	TI LI LO TS
CL000068	A-549 Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 11 nM	TI LI LO TS
CL000220	KB Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 19 nM	TI LI LO TS
CL000269	KYSE-520 Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 15 nM	TI LI LO TS
CL000323	LoVo Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 77 nM	TI LI LO TS
CL000215	MiaPaCa(BCRP) Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 51 nM	TI LI LO TS
CL000157	NCI-H1975 Cell Line Info	Homo sapiens (Human)	4
1	IC50 = 7600 nM	TI LI LO TS
2	IC50 = 9000 nM	TI LI LO TS
3	IC50 = 9003 nM	TI LI LO TS
4	IC50 > 5000 nM	TI LI LO TS
CL000325	NCI-H2073 Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 17 nM	TI LI LO TS
CL000246	NCI-H292 Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 6.3 nM	TI LI LO TS
CL000324	NCI-H3255 Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 40 nM	TI LI LO TS
CL000035	NIH 3T3 Cell Line Info	Mus musculus (Mouse)	1
1	IC50 = 19.3 nM	TI LI LO TS
CL000379	PC-9 Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 11 nM	TI LI LO TS
CL000923	PC9-DRH Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 9736 nM	TI LI LO TS
CL000013	Sf9 Cell Line Info	Spodoptera frugiperda (Fall armyworm)	8
1	IC50 = 2.17 nM	TI LI LO TS
2	IC50 = 20 nM	TI LI LO TS
3	IC50 = 30 nM	TI LI LO TS
4	IC50 = 32 nM	TI LI LO TS
5	IC50 = 60 nM	TI LI LO TS
6	IC50 = 80 nM	TI LI LO TS
7	IC50 = 160 nM	TI LI LO TS
8	IC50 = 340 nM	TI LI LO TS
CL000102	U-87MG ATCC Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 3.9 nM	TI LI LO TS

Biochemical Assays

1	IC50 = 0.4 nM
2	IC50 = 0.5 nM
3	IC50 = 0.6 nM
4	IC50 = 1 nM
5	IC50 = 1.5 nM
6	IC50 = 2 nM
7	IC50 = 3.1 nM
8	IC50 = 3.52 nM
9	IC50 = 3.6 nM
10	IC50 = 5 nM
11	IC50 = 16 nM
12	IC50 = 20 nM
13	IC50 = 20.3 nM
14	IC50 = 23 nM
15	IC50 = 26.09 nM
16	IC50 = 30 nM
17	IC50 = 32 nM
18	IC50 = 35 nM
19	IC50 = 47 nM
20	IC50 = 48 nM
21	IC50 = 54.34 nM
22	IC50 = 67 nM
23	IC50 = 73 nM
24	IC50 = 80 nM
25	IC50 = 87 nM
26	IC50 = 95 nM
27	IC50 = 96.6 nM
28	IC50 = 100 nM
29	IC50 = 152.59 nM
30	IC50 = 180 nM
31	IC50 = 200 nM
32	IC50 = 239.91 nM
33	IC50 = 1450 nM
34	IC50 < 150 nM
35	IC50 > 1000 nM
36	Kd = 0.35 nM
37	Kd = 0.47 nM
38	Kd = 0.48 nM
39	Kd = 0.52 nM
40	Kd = 0.67 nM
41	Kd = 0.85 nM
42	Kd = 0.97 nM
43	Kd = 1 nM
44	Kd = 1.2 nM
45	Kd = 1.4 nM
46	Kd = 1.6 nM
47	Kd = 140 nM
48	Kd = 190 nM
49	Ki = 0.1 nM
50	Ki = 45 nM

Cite

About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han