General Information of the Compound
Compound ID
CP0016076
Compound Name
N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine
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Synonyms
153436-53-4
175178-82-2
4-(3-Chloroanilino)-6,7-dimethoxyquinazoline
4-Quinazolinamine, N-(3-chlorophenyl)-6,7-dimethoxy-
AG 1478
AG-1478
AG-1478 (Tyrphostin AG-1478)
AG-1478 hydrochloride
AG1478
AK-63142
BRD-6408
BRD6408
CHEBI:75404
CHEMBL7917
N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine
N-(3-chlorophenyl)-6,7-dimethoxy-quinazolin-4-amine
N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine
NSC-693255
NSC693255
SR-01000076156
SUH0SEZ9HY
TYRPHOSTIN
Tyrphostin AG 1478
Tyrphostin AG-1478
Tyrphostin ag-1478
UNII-SUH0SEZ9HY
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Structure
Formula
C16H14ClN3O2
Molecular Weight
315.76
Canonical SMILES
COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
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InChI
InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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InChIKey
GFNNBHLJANVSQV-UHFFFAOYSA-N
CAS
153436-53-4
Physicochemical Property
logP
4.044
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
56.27
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
22

"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).

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PubChem ID
CID: 2051
SID: 14801206
ChEMBL ID
CHEMBL7917
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000052 A-431
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 0.31 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.3162 nM
2 IC50 = 1.6 nM
3 IC50 = 3 nM
4 IC50 = 5 nM
5 IC50 = 6 nM
6 IC50 = 120 nM
Protein ID: PT01427, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 19600 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 1870 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 19600 nM
2 IC50 = 55000 nM
3 Ki = 1870 nM
Clinical Information about the Compound
Drug 1 ( Tyrphostin ag-1478 )
Drug Name Tyrphostin ag-1478
Target(s)
Epidermal growth factor receptor (EGFR)
 Target Info 
Inhibitor
Stress-activated protein kinase 2a (p38 alpha)
 Target Info 
Inhibitor