General Information of the Compound
Compound ID
CP0461779
Compound Name
4-(4-methylpiperazin-1-yl)quinazolin-2-amine
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Structure
Formula
C13H17N5
Molecular Weight
243.314
Canonical SMILES
CN1CCN(CC1)c1nc(N)nc2ccccc12
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InChI
InChI=1S/C13H17N5/c1-17-6-8-18(9-7-17)12-10-4-2-3-5-11(10)15-13(14)16-12/h2-5H,6-9H2,1H3,(H2,14,15,16)
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InChIKey
GORRKRHEHKVTEB-UHFFFAOYSA-N
Physicochemical Property
logP
0.9638
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
58.28
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
18

"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: 44275465
ChEMBL ID
CHEMBL281590
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: PT01711, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
Ki = 32 nM
   TI
   LI
   LO
   TS
2
Ki = 44.67 nM
   TI
   LI
   LO
   TS