Bioactivity Information

Brief Information of the Compound and Protein

Compound Name

Compound Info

N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine

Show/Hide

PubChem ID

CID: 123631

SID: 14833109

Canonical SMILES	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show/Hide
Compound Formula	C22H24ClFN4O3

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	EC50 = 2162 nM	TI LI LO TS
2	IC50 < 15 nM	TI LI LO TS
3	IC50 = 23 nM	TI LI LO TS
4	IC50 = 1080 nM	TI LI LO TS
CL000068	A-549 Cell Line Info	Homo sapiens (Human)	3
1	IC50 = 39.9 nM	TI LI LO TS
2	IC50 = 60 nM	TI LI LO TS
3	IC50 = 498 nM	TI LI LO TS
CL000063	Hep-G2 Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 12.5 nM	TI LI LO TS
CL000220	KB Cell Line Info	Homo sapiens (Human)	4
1	IC50 = 11 nM	TI LI LO TS
2	IC50 = 25 nM	TI LI LO TS
3	IC50 = 54 nM	TI LI LO TS
4	IC50 = 80 nM	TI LI LO TS
CL000323	LoVo Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 62 nM	TI LI LO TS
CL000157	NCI-H1975 Cell Line Info	Homo sapiens (Human)	3
1	EC50 = 10733 nM	TI LI LO TS
2	IC50 = 3300 nM	TI LI LO TS
3	IC50 = 13980 nM	TI LI LO TS
CL000324	NCI-H3255 Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 6.5 nM	TI LI LO TS
CL000145	NCI-H460 Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 22800 nM	TI LI LO TS
CL000035	NIH 3T3 Cell Line Info	Mus musculus (Mouse)	2
1	IC50 = 14 nM	TI LI LO TS
2	IC50 = 14.4 nM	TI LI LO TS
CL000379	PC-9 Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 12 nM	TI LI LO TS
CL000012	Sf21 Cell Line Info	Spodoptera frugiperda (Fall armyworm)	5
1	IC50 = 12 nM	TI LI LO TS
2	IC50 = 129.7 nM	TI LI LO TS
3	IC50 = 460 nM	TI LI LO TS
4	IC50 = 639 nM	TI LI LO TS
5	IC50 > 5000 nM	TI LI LO TS
CL000013	Sf9 Cell Line Info	Spodoptera frugiperda (Fall armyworm)	10
1	IC50 < 1 nM	TI LI LO TS
2	IC50 = 3 nM	TI LI LO TS
3	IC50 = 4 nM	TI LI LO TS
4	IC50 = 15.5 nM	TI LI LO TS
5	IC50 = 20 nM	TI LI LO TS
6	IC50 = 33 nM	TI LI LO TS
7	IC50 = 390 nM	TI LI LO TS
8	IC50 = 823.3 nM	TI LI LO TS
9	IC50 = 3170 nM	TI LI LO TS
10	IC50 = 4990 nM	TI LI LO TS

Biochemical Assays

1	IC50 = 0.1 nM
2	IC50 = 0.32 nM
3	IC50 = 0.45 nM
4	IC50 < 0.5 nM
5	IC50 = 0.6 nM
6	IC50 = 0.769 nM
7	IC50 = 0.9 nM
8	IC50 = 1 nM
9	IC50 < 1 nM
10	IC50 = 1.3 nM
11	IC50 = 1.5 nM
12	IC50 = 1.9 nM
13	IC50 = 2.3 nM
14	IC50 = 2.6 nM
15	IC50 = 3.1 nM
16	IC50 = 3.22 nM
17	IC50 = 3.7 nM
18	IC50 = 3.8 nM
19	IC50 = 4 nM
20	IC50 = 4.2 nM
21	IC50 = 5.4 nM
22	IC50 = 7.3 nM
23	IC50 = 8.43 nM
24	IC50 = 9.6 nM
25	IC50 = 10.6 nM
26	IC50 = 11.8 nM
27	IC50 = 13 nM
28	IC50 = 15.5 nM
29	IC50 = 20 nM
30	IC50 = 21 nM
31	IC50 = 22 nM
32	IC50 = 23 nM
33	IC50 = 26 nM
34	IC50 = 27 nM
35	IC50 = 29 nM
36	IC50 = 29.6 nM
37	IC50 = 31 nM
38	IC50 = 33 nM
39	IC50 = 37 nM
40	IC50 = 39 nM
41	IC50 = 62 nM
42	IC50 = 70 nM
43	IC50 = 72 nM
44	IC50 = 76 nM
45	IC50 = 127.9 nM
46	IC50 = 166 nM
47	IC50 = 380 nM
48	IC50 = 515 nM
49	IC50 = 1740 nM
50	IC50 = 2753 nM
51	IC50 = 2874.7 nM
52	IC50 = 6746 nM
53	IC50 = 15500 nM
54	IC50 > 100 nM
55	IC50 > 1000 nM
56	IC50 > 2000 nM
57	Kd = 0.52 nM
58	Kd = 0.54 nM
59	Kd = 0.57 nM
60	Kd = 0.94 nM
61	Kd = 0.98 nM
62	Kd = 1 nM
63	Kd = 1.1 nM
64	Kd = 1.4 nM
65	Kd = 1.8 nM
66	Kd = 2 nM
67	Kd = 35.3 nM
68	Kd = 40 nM
69	Kd = 140 nM
70	Ki = 0.4 nM

Cite

About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han