General Information of the Compound
Compound ID
CP0459660
Compound Name
N-cyclohexylquinazolin-4-amine
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Synonyms
4-Quinazolinamine, N-cyclohexyl-
81080-06-0
AKOS008969009
BDBM50278114
CHEMBL513012
CTK2I7170
DTXSID10530489
MCULE-5342672910
MolPort-008-958-618
N-cyclohexylquinazolin-4-amine
Oprea1_305199
SR-01000467804
SR-01000467804-1
ZINC27534370
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Structure
Formula
C14H17N3
Molecular Weight
227.311
Canonical SMILES
C1CCC(CC1)Nc1ncnc2ccccc12
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InChI
InChI=1S/C14H17N3/c1-2-6-11(7-3-1)17-14-12-8-4-5-9-13(12)15-10-16-14/h4-5,8-11H,1-3,6-7H2,(H,15,16,17)
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InChIKey
CIFOBGKTSPXVQX-UHFFFAOYSA-N
Physicochemical Property
logP
3.3744
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
37.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
17

"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: 13231190
ChEMBL ID
CHEMBL513012
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 27 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-cyclohexylquinazolin-4-amine )
Drug Name N-cyclohexylquinazolin-4-amine
Target(s)
Metabotropic glutamate receptor 1 (mGluR1)
 Target Info 
Inhibitor