General Information of the Compound
Compound ID
CP0365193
Compound Name
4-Anilinoquinazoline deriv. 48
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Synonyms
169205-81-6
4-Anilinoquinazoline deriv. 48
4-N-(3-bromophenyl)quinazoline-4,7-diamine
7-Amino-4-(3-bromoanilino)quinazoline
7-Amino-4-[(3-bromophenyl)aminolquinazoline
7-amino-4(3-bromoanilino)-quinazoline
7-amino-4-(3-bromoanilino)-quinazoline
7-amino-4-[(3-bromophenyl)-amino]quinazoline
7-amino-4-[(3-bromophenyl)amino]quinazoline
AC1NS3NB
AKOS014671983
BDBM3297
CHEMBL420624
FT-0768311
GHVBIROTJQDRQB-UHFFFAOYSA-N
N*4*-(3-Bromo-phenyl)-quinazoline-4,7-diamine
N-(3-Bromophenyl)quinazoline-4,7-diamine
SCHEMBL2986298
ZINC3815072
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Structure
Formula
C14H11BrN4
Molecular Weight
315.174
Canonical SMILES
Nc1ccc2c(Nc3cccc(Br)c3)ncnc2c1
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InChI
InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-5-4-10(16)7-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)
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InChIKey
GHVBIROTJQDRQB-UHFFFAOYSA-N
Physicochemical Property
logP
3.7181
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
63.83
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 5328045
SID: 15049114
ChEMBL ID
CHEMBL420624
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 = 0.1 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.1 nM
Clinical Information about the Compound
Drug 1 ( N*4*-(3-Bromo-phenyl)-quinazoline-4,7-diamine )
Drug Name N*4*-(3-Bromo-phenyl)-quinazoline-4,7-diamine
Target(s)
Epidermal growth factor receptor (EGFR)
 Target Info 
Inhibitor