General Information of the Compound
Compound ID
CP0511351
Compound Name
N-(2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine
    Show/Hide
Synonyms
CHEMBL471242
N-(2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine
SCHEMBL9040263
    Show/Hide
Structure
Formula
C17H15N3
Molecular Weight
261.328
Canonical SMILES
C1C(Cc2ccccc12)Nc1ncnc2ccccc12
    Show/Hide
InChI
InChI=1S/C17H15N3/c1-2-6-13-10-14(9-12(13)5-1)20-17-15-7-3-4-8-16(15)18-11-19-17/h1-8,11,14H,9-10H2,(H,18,19,20)
    Show/Hide
InChIKey
CLVFUKGYGOFREN-UHFFFAOYSA-N
Physicochemical Property
logP
3.2091
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
37.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
20

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 23186964
ChEMBL ID
CHEMBL471242
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: PT02444, Metabotropic glutamate receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 34 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-(2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine )
Drug Name N-(2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine
Target(s)
Metabotropic glutamate receptor 1 (mGluR1)
Inhibitor