General Information of the Compound
Compound ID
CP0366798
Compound Name
7-(4-Dimethylamino-phenyl)-6-phenyl-pteridin-4-ylamine
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Structure
Formula
C20H18N6
Molecular Weight
342.406
Canonical SMILES
CN(C)c1ccc(cc1)-c1nc2ncnc(N)c2nc1-c1ccccc1
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InChI
InChI=1S/C20H18N6/c1-26(2)15-10-8-14(9-11-15)17-16(13-6-4-3-5-7-13)24-18-19(21)22-12-23-20(18)25-17/h3-12H,1-2H3,(H2,21,22,23,25)
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InChIKey
CIRUVMJPYVQYHL-UHFFFAOYSA-N
Physicochemical Property
logP
3.402
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
80.82
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 10947859
SID: 16001434
ChEMBL ID
CHEMBL305746
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: PT01274, Adenosine kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000016 IMR-32 Homo sapiens (Human)  1
1
IC50 = 333 nM
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