General Information of the Compound
Compound ID
CP0528503
Compound Name
6-(4-Methylpiperazin-1-yl)-9H-purin-2-amine
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Synonyms
1196993-60-8
6-(4-Methylpiperazin-1-yl)-9H-purin-2-amine
BBL036459
BDBM50304514
CHEMBL594694
MolPort-039-193-873
SCHEMBL20093538
STL490826
ZINC45352375
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Structure
Formula
C10H15N7
Molecular Weight
233.279
Canonical SMILES
CN1CCN(CC1)c1nc(N)nc2nc[nH]c12
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InChI
InChI=1S/C10H15N7/c1-16-2-4-17(5-3-16)9-7-8(13-6-12-7)14-10(11)15-9/h6H,2-5H2,1H3,(H3,11,12,13,14,15)
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InChIKey
HZZXEPZFOVOWIN-UHFFFAOYSA-N
Physicochemical Property
logP
-0.3131
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
86.96
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 46228161
ChEMBL ID
CHEMBL594694
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 15600 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 6-(4-Methylpiperazin-1-yl)-9H-purin-2-amine )
Drug Name 6-(4-Methylpiperazin-1-yl)-9H-purin-2-amine
Target(s)
Histamine H4 receptor (H4R)
 Target Info 
Inhibitor