General Information of the Compound
Compound ID
CP0281006
Compound Name
7-(4-Dimethylamino-phenyl)-6-(4-methoxy-phenyl)-pyrido[2,3-d]pyrimidin-4-ylamine
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Structure
Formula
C22H21N5O
Molecular Weight
371.444
Canonical SMILES
COc1ccc(cc1)-c1cc2c(N)ncnc2nc1-c1ccc(cc1)N(C)C
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InChI
InChI=1S/C22H21N5O/c1-27(2)16-8-4-15(5-9-16)20-18(14-6-10-17(28-3)11-7-14)12-19-21(23)24-13-25-22(19)26-20/h4-13H,1-3H3,(H2,23,24,25,26)
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InChIKey
ZADGRKLNRFXWQT-UHFFFAOYSA-N
Physicochemical Property
logP
4.0156
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
77.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 10270557
SID: 15275459
ChEMBL ID
CHEMBL302938
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 = 567 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 92 nM