General Information of the Compound
Compound ID
CP0390721
Compound Name
4-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
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Structure
Formula
C15H26N6
Molecular Weight
290.415
Canonical SMILES
CN1CCN(CC1)c1nc(N)nc(CC2CCCCC2)n1
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InChI
InChI=1S/C15H26N6/c1-20-7-9-21(10-8-20)15-18-13(17-14(16)19-15)11-12-5-3-2-4-6-12/h12H,2-11H2,1H3,(H2,16,17,18,19)
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InChIKey
XDVBCPKSVWBVSR-UHFFFAOYSA-N
Physicochemical Property
logP
1.3284
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
71.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 155540438
ChEMBL ID
CHEMBL4483783
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 32 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 160 nM
   TI
   LI
   LO
   TS