General Information of the Compound
Compound ID
CP0016034
Compound Name
8-[(3-Bromophenyl)amino]-3-methyl-3H-imidazo[4,5-g]-quinazoline
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Synonyms
174709-30-9
8-[(3-Bromophenyl)amino]-3-methyl-3H-imidazo[4,5-g]-quinazoline
AC1L1DNH
ACM174709309
AKOS025394452
BDBM3574
BPIQ-I
BRD-K72211743-001-01-1
CCG-206740
CHEMBL174426
CTK8E6742
DTXSID60274366
GTPL5939
HMS3229C05
HSCI1_000090
IN1402
Imidazoquinazoline deriv. 12
J-011030
MolPort-044-561-412
N-(3-bromophenyl)-3-methyl-3H-imidazo[4,5-g]quinazolin-8-amine
RT-011807
SCHEMBL17931472
ZINC2391775
bpiq-i
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Structure
Formula
C16H12BrN5
Molecular Weight
354.211
Canonical SMILES
Cn1cnc2cc3c(Nc4cccc(Br)c4)ncnc3cc12
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InChI
InChI=1S/C16H12BrN5/c1-22-9-20-14-6-12-13(7-15(14)22)18-8-19-16(12)21-11-4-2-3-10(17)5-11/h2-9H,1H3,(H,18,19,21)
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InChIKey
YAMAGACQNDAKFB-UHFFFAOYSA-N
Physicochemical Property
logP
4.0226
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
55.63
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: 2427
SID: 15648445
ChEMBL ID
CHEMBL174426
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000052 A-431 Homo sapiens (Human)  1
1
IC50 = 0.025 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( BPIQ-I )
Drug Name BPIQ-I
Target(s)
Epidermal growth factor receptor (EGFR)
Inhibitor