General Information of the Compound
Compound ID
CP0390276
Compound Name
N-(3-chlorophenyl)-6-nitroquinazolin-4-amine
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Synonyms
153436-72-7
AKOS027252204
BDBM50311879
CHEMBL1080816
DTXSID00470764
N-(3-chlorophenyl)-6-nitroquinazolin-4-amine
SCHEMBL8871973
ZINC38265601
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Structure
Formula
C14H9ClN4O2
Molecular Weight
300.705
Canonical SMILES
[O-][N+](=O)c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
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InChI
InChI=1S/C14H9ClN4O2/c15-9-2-1-3-10(6-9)18-14-12-7-11(19(20)21)4-5-13(12)16-8-17-14/h1-8H,(H,16,17,18)
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InChIKey
USAMIYATKINXLP-UHFFFAOYSA-N
Physicochemical Property
logP
3.935
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
80.95
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
21

"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: 11695129
SID: 16799592
ChEMBL ID
CHEMBL1080816
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: PT01247, Metabotropic glutamate receptor 5
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 274 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-(3-chlorophenyl)-6-nitroquinazolin-4-amine )
Drug Name N-(3-chlorophenyl)-6-nitroquinazolin-4-amine
Target(s)
Metabotropic glutamate receptor 5 (mGluR5)
 Target Info 
Inhibitor