General Information of the Compound
Compound ID
CP0392334
Compound Name
1-methyl-6-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidine
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Structure
Formula
C15H23N7
Molecular Weight
301.398
Canonical SMILES
CN1CCN(CC1)c1nc(N2CCCC2)c2cnn(C)c2n1
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InChI
InChI=1S/C15H23N7/c1-19-7-9-22(10-8-19)15-17-13-12(11-16-20(13)2)14(18-15)21-5-3-4-6-21/h11H,3-10H2,1-2H3
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InChIKey
DFBFDRZHAVAEKE-UHFFFAOYSA-N
Physicochemical Property
logP
0.7153
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
53.32
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
22

"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: 29136870
ChEMBL ID
CHEMBL1923522
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)  1
1
Ki = 2900 nM
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